A1JMJ
Summary
| Name: | ~{N}-[2-[2-(cyclohexylmethoxy)-3-methyl-4,6-bis(oxidanyl)phenyl]carbonyl-1,3-dihydroisoindol-4-yl]-4-(dimethylamino)butanamide |
| Formula: | C29 H39 N3 O5 |
| Formal charge: | 0 |
| Formula weight: | 509.637 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | ~{N}-[2-[2-(cyclohexylmethoxy)-3-methyl-4,6-bis(oxidanyl)phenyl]carbonyl-1,3-dihydroisoindol-4-yl]-4-(dimethylamino)butanamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C29H39N3O5/c1-19-24(33)15-25(34)27(28(19)37-18-20-9-5-4-6-10-20)29(36)32-16-21-11-7-12-23(22(21)17-32)30-26(35)13-8-14-31(2)3/h7,11-12,15,20,33-34H,4-6,8-10,13-14,16-18H2,1-3H3,(H,30,35) |
| InChIKey | InChI | 1.06 | TWCKDBBYCLWELT-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CN(C)CCCC(=O)Nc1cccc2CN(Cc12)C(=O)c3c(O)cc(O)c(C)c3OCC4CCCCC4 |
| SMILES | CACTVS | 3.385 | CN(C)CCCC(=O)Nc1cccc2CN(Cc12)C(=O)c3c(O)cc(O)c(C)c3OCC4CCCCC4 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cc1c(cc(c(c1OCC2CCCCC2)C(=O)N3Cc4cccc(c4C3)NC(=O)CCCN(C)C)O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | Cc1c(cc(c(c1OCC2CCCCC2)C(=O)N3Cc4cccc(c4C3)NC(=O)CCCN(C)C)O)O |
