3. Structures
3.1 2D structure
3.2 3D structure
-1
-2
-3
68 70 0 1 0 0 0 0 0999 V2000
-3.7066 -0.1436 -2.3833 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.5276 -0.1157 -1.2469 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.9816 -1.7535 1.3651 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.6732 4.4274 -1.8287 O 0 0 0 0 0 0 0 0 0 0 0 0
3.7735 -1.2218 -1.6543 O 0 0 0 0 0 0 0 0 0 0 0 0
0.9059 1.3338 1.8600 O 0 0 0 0 0 0 0 0 0 0 0 0
3.7878 1.5646 -1.4000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.9811 2.2631 2.1833 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.4665 -0.5724 0.0023 N 0 0 0 0 0 0 0 0 0 0 0 0
-3.6495 2.1358 -2.0757 N 0 0 0 0 0 0 0 0 0 0 0 0
1.2901 -2.4583 -1.2123 N 0 0 0 0 0 0 0 0 0 0 0 0
1.7657 2.6298 0.2414 N 0 0 0 0 0 0 0 0 0 0 0 0
-3.1787 0.6663 -0.1673 C 0 0 1 0 0 0 0 0 0 0 0 0
-2.3631 1.8446 0.3403 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1376 3.1298 0.1111 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8864 -2.1883 -0.1435 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5062 0.8183 -1.6420 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2310 -0.8276 -0.5542 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9444 -1.6355 0.7396 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9226 -2.6769 0.6387 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4905 3.3099 -1.3461 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2352 -2.9417 -0.4231 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8919 -3.9448 1.1821 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2880 -4.2301 0.1165 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7653 -4.7268 0.9113 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4618 -3.2289 -1.5119 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4222 -2.4080 -2.3556 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9915 0.7104 3.1464 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1419 1.8010 4.2061 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1984 -0.2265 3.1537 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2999 -0.0754 3.3637 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6731 -0.4191 -2.4061 C 0 0 0 0 0 0 0 0 0 0 0 0
4.9907 0.8379 -1.6194 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7114 3.4836 -0.4391 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0230 2.7453 -0.6456 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9812 2.0929 1.4933 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.1328 0.6121 0.3717 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3997 1.9239 -0.1744 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1475 1.7288 1.4079 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5329 3.9853 0.4310 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.0679 3.1340 0.6899 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.8984 2.2538 -3.0542 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7009 -4.3266 1.7936 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1330 -4.8918 -0.0539 H 0 0 0 0 0 0 0 0 0 0 0 0
1.2073 -1.5157 -1.5769 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6986 -5.7323 1.3188 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2010 -4.1426 -2.0576 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9702 -3.5048 -0.5802 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9502 -2.1410 -3.3091 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3241 -2.9957 -2.5619 H 0 0 0 0 0 0 0 0 0 0 0 0
0.9263 1.3974 5.2027 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4448 2.6266 4.0211 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1432 2.2332 4.2759 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2303 -0.8298 2.2386 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1440 -0.9137 4.0065 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1649 0.2759 3.2406 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4265 -0.8319 2.5840 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1732 0.5832 3.3079 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3104 -0.5796 4.3356 H 0 0 0 0 0 0 0 0 0 0 0 0
5.5941 -0.9779 -2.6048 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1996 -0.1488 -3.3572 H 0 0 0 0 0 0 0 0 0 0 0 0
5.7034 1.4569 -2.1752 H 0 0 0 0 0 0 0 0 0 0 0 0
5.4237 0.5658 -0.6497 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8641 4.3853 0.1617 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2615 3.7570 -1.3986 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5042 2.4900 0.3037 H 0 0 0 0 0 0 0 0 0 0 0 0
4.7088 3.3959 -1.2014 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8852 2.4248 -0.2204 H 0 0 0 0 0 0 0 0 0 0 0 0
1 17 2 0 0 0 0
2 18 2 0 0 0 0
3 19 2 0 0 0 0
4 21 2 0 0 0 0
5 27 1 0 0 0 0
5 32 1 0 0 0 0
6 28 1 0 0 0 0
6 36 1 0 0 0 0
7 33 1 0 0 0 0
7 35 1 0 0 0 0
8 36 2 0 0 0 0
9 13 1 0 0 0 0
9 18 1 0 0 0 0
9 19 1 0 0 0 0
10 17 1 0 0 0 0
10 21 1 0 0 0 0
10 42 1 0 0 0 0
11 22 1 0 0 0 0
11 26 1 0 0 0 0
11 45 1 0 0 0 0
12 34 1 0 0 0 0
12 36 1 0 0 0 0
12 68 1 0 0 0 0
13 14 1 0 0 0 0
13 17 1 0 0 0 0
13 37 1 0 0 0 0
14 15 1 0 0 0 0
14 38 1 0 0 0 0
14 39 1 0 0 0 0
15 21 1 0 0 0 0
15 40 1 0 0 0 0
15 41 1 0 0 0 0
16 18 1 0 0 0 0
16 20 2 0 0 0 0
16 22 1 0 0 0 0
19 20 1 0 0 0 0
20 23 1 0 0 0 0
22 24 2 0 0 0 0
23 25 2 0 0 0 0
23 43 1 0 0 0 0
24 25 1 0 0 0 0
24 44 1 0 0 0 0
25 46 1 0 0 0 0
26 27 1 0 0 0 0
26 47 1 0 0 0 0
26 48 1 0 0 0 0
27 49 1 0 0 0 0
27 50 1 0 0 0 0
28 29 1 0 0 0 0
28 30 1 0 0 0 0
28 31 1 0 0 0 0
29 51 1 0 0 0 0
29 52 1 0 0 0 0
29 53 1 0 0 0 0
30 54 1 0 0 0 0
30 55 1 0 0 0 0
30 56 1 0 0 0 0
31 57 1 0 0 0 0
31 58 1 0 0 0 0
31 59 1 0 0 0 0
32 33 1 0 0 0 0
32 60 1 0 0 0 0
32 61 1 0 0 0 0
33 62 1 0 0 0 0
33 63 1 0 0 0 0
34 35 1 0 0 0 0
34 64 1 0 0 0 0
34 65 1 0 0 0 0
35 66 1 0 0 0 0
35 67 1 0 0 0 0
4. International Nomenclature & Identifiers
4.1 IUPAC Name
tert-butyl N-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]ethyl]carbamate
4.2 InChI
InChI=1S/C24H32N4O8/c1-24(2,3)36-23(33)26-10-12-35-14-13-34-11-9-25-16-6-4-5-15-19(16)22(32)28(21(15)31)17-7-8-18(29)27-20(17)30/h4-6,17,25H,7-14H2,1-3H3,(H,26,33)(H,27,29,30)
4.3 InChIKey
YMOKYFTVZVHRSA-UHFFFAOYSA-N
4.4 Canonical SMILES
CC(C)(C)OC(=O)NCCOCCOCCNC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O
4.5 Isomeric SMILES
-
4.6 SDF file
5. Spectroscopic data
5.1 13C nuclear magnetic resonance (13C NMR)
5.2 1H nuclear magnetic resonance (1H NMR)
5.3 Mass spectrometry (MS)
5.4 Infrared spectroscopy (IR)
5.5 Ultraviolet/visible spectroscopy (UV/Vis)
