40U
Summary
| Name: | N-{(2R)-1-[(4S)-4-(4-chlorophenyl)-4-hydroxy-3,3-dimethylpiperidin-1-yl]-3-methyl-1-oxobutan-2-yl}-2-cyclopropylacetamide |
| Formula: | C23 H33 Cl N2 O3 |
| Formal charge: | 0 |
| Formula weight: | 420.973 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | N-{(2R)-1-[(4S)-4-(4-chlorophenyl)-4-hydroxy-3,3-dimethylpiperidin-1-yl]-3-methyl-1-oxobutan-2-yl}-2-cyclopropylacetamide |
| OpenEye OEToolkits | 1.9.2 | N-[(2R)-1-[(4S)-4-(4-chlorophenyl)-3,3-dimethyl-4-oxidanyl-piperidin-1-yl]-3-methyl-1-oxidanylidene-butan-2-yl]-2-cyclopropyl-ethanamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(N2CCC(O)(c1ccc(Cl)cc1)C(C)(C2)C)C(NC(=O)CC3CC3)C(C)C |
| InChI | InChI | 1.03 | InChI=1S/C23H33ClN2O3/c1-15(2)20(25-19(27)13-16-5-6-16)21(28)26-12-11-23(29,22(3,4)14-26)17-7-9-18(24)10-8-17/h7-10,15-16,20,29H,5-6,11-14H2,1-4H3,(H,25,27)/t20-,23+/m1/s1 |
| InChIKey | InChI | 1.03 | CZEQXLMAKRKHJC-OFNKIYASSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC(C)[C@@H](NC(=O)CC1CC1)C(=O)N2CC[C@](O)(c3ccc(Cl)cc3)C(C)(C)C2 |
| SMILES | CACTVS | 3.385 | CC(C)[CH](NC(=O)CC1CC1)C(=O)N2CC[C](O)(c3ccc(Cl)cc3)C(C)(C)C2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | CC(C)[C@H](C(=O)N1CC[C@@](C(C1)(C)C)(c2ccc(cc2)Cl)O)NC(=O)CC3CC3 |
| SMILES | OpenEye OEToolkits | 1.9.2 | CC(C)C(C(=O)N1CCC(C(C1)(C)C)(c2ccc(cc2)Cl)O)NC(=O)CC3CC3 |
