1. Primary Information
| English name: | (R)-N-(1-(3-(benzyloxy)-2-hydroxypropyl)-2-(1-(benzyloxy)-2-methylpropan-2-yl)-6-fluoro-1H-indol-5-yl)-1-(2,2-difluorobenzo[d][1,3]dioxol-5-yl)cyclopropanecarboxamide |
| CAS No.: | 1294504-68-9 |
| Molecular formula: | C40H39F3N2O6 |
| Molecular weight: | 700.7 g/mol |
| SMILES: | CC(C)(COCC1=CC=CC=C1)C2=CC3=CC(=C(C=C3N2CC(COCC4=CC=CC=C4)O)F)NC(=O)C5(CC5)C6=CC7=C(C=C6)OC(O7)(F)F |
| Structural class: | |
| Other identifiers: |
- |
2. Suppliers & Pricing
| Supplier | Pack size | Purity | Price (CNY) | Storage conditions | Lead time | Notes |
| Kehua Intelligence | 500mg | 98% | 17520 | -20℃ | in stock | - |
3. Structures
3.1 2D structure
3.2 3D structure
4. International Nomenclature & Identifiers
4.1 IUPAC Name
1-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-[6-fluoro-1-[(2R)-2-hydroxy-3-phenylmethoxypropyl]-2-(2-methyl-1-phenylmethoxypropan-2-yl)indol-5-yl]cyclopropane-1-carboxamide
4.2 InChI
InChI=1S/C40H39F3N2O6/c1-38(2,25-49-23-27-11-7-4-8-12-27)36-18-28-17-32(31(41)20-33(28)45(36)21-30(46)24-48-22-26-9-5-3-6-10-26)44-37(47)39(15-16-39)29-13-14-34-35(19-29)51-40(42,43)50-34/h3-14,17-20,30,46H,15-16,21-25H2,1-2H3,(H,44,47)/t30-/m1/s1
4.3 InChIKey
DCVDPRQKWVMEIH-SSEXGKCCSA-N
4.4 Canonical SMILES
CC(C)(COCC1=CC=CC=C1)C2=CC3=CC(=C(C=C3N2CC(COCC4=CC=CC=C4)O)F)NC(=O)C5(CC5)C6=CC7=C(C=C6)OC(O7)(F)F
4.5 Isomeric SMILES
CC(C)(COCC1=CC=CC=C1)C2=CC3=CC(=C(C=C3N2C[C@H](COCC4=CC=CC=C4)O)F)NC(=O)C5(CC5)C6=CC7=C(C=C6)OC(O7)(F)F
