UKZ
Summary
| Name: | N-((1S,2R)-1-(3-chloro-2-methylphenyl)-1-hydroxypentan-2-yl)-2-oxoindoline-4-carboxamide |
| Synonyms: | ~{N}-[(1~{S},2~{R})-1-(3-chloranyl-2-methyl-phenyl)-1-oxidanyl-pentan-2-yl]-2-oxidanylidene-1,3-dihydroindole-4-carboxamide N-[(1S,2R)-1-(3-chloranyl-2-methyl-phenyl)-1-oxidanyl-pentan-2-yl]-2-oxidanylidene-1,3-dihydroindole-4-carboxamide |
| Formula: | C21 H23 Cl N2 O3 |
| Formal charge: | 0 |
| Formula weight: | 386.872 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | ~{N}-[(1~{S},2~{R})-1-(3-chloranyl-2-methyl-phenyl)-1-oxidanyl-pentan-2-yl]-2-oxidanylidene-1,3-dihydroindole-4-carboxamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C21H23ClN2O3/c1-3-6-18(20(26)13-7-4-9-16(22)12(13)2)24-21(27)14-8-5-10-17-15(14)11-19(25)23-17/h4-5,7-10,18,20,26H,3,6,11H2,1-2H3,(H,23,25)(H,24,27)/t18-,20+/m1/s1 |
| InChIKey | InChI | 1.03 | MQQHOEONXLJMLA-QUCCMNQESA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCC[C@@H](NC(=O)c1cccc2NC(=O)Cc12)[C@@H](O)c3cccc(Cl)c3C |
| SMILES | CACTVS | 3.385 | CCC[CH](NC(=O)c1cccc2NC(=O)Cc12)[CH](O)c3cccc(Cl)c3C |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CCC[C@H]([C@H](c1cccc(c1C)Cl)O)NC(=O)c2cccc3c2CC(=O)N3 |
| SMILES | OpenEye OEToolkits | 2.0.7 | CCCC(C(c1cccc(c1C)Cl)O)NC(=O)c2cccc3c2CC(=O)N3 |
