UL2
Summary
| Name: | N-((1S,2R)-1-hydroxy-1-(o-tolyl)pentan-2-yl)-2-oxo-2,3-dihydrobenzo[d]oxazole-5-carboxamide |
| Synonyms: | ~{N}-[(1~{S},2~{R})-1-(2-methylphenyl)-1-oxidanyl-pentan-2-yl]-2-oxidanylidene-3~{H}-1,3-benzoxazole-5-carboxamide N-[(1S,2R)-1-(2-methylphenyl)-1-oxidanyl-pentan-2-yl]-2-oxidanylidene-3H-1,3-benzoxazole-5-carboxamide |
| Formula: | C20 H22 N2 O4 |
| Formal charge: | 0 |
| Formula weight: | 354.4 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | ~{N}-[(1~{S},2~{R})-1-(2-methylphenyl)-1-oxidanyl-pentan-2-yl]-2-oxidanylidene-3~{H}-1,3-benzoxazole-5-carboxamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C20H22N2O4/c1-3-6-15(18(23)14-8-5-4-7-12(14)2)21-19(24)13-9-10-17-16(11-13)22-20(25)26-17/h4-5,7-11,15,18,23H,3,6H2,1-2H3,(H,21,24)(H,22,25)/t15-,18+/m1/s1 |
| InChIKey | InChI | 1.03 | SNFRXTGIONJORR-QAPCUYQASA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCC[C@@H](NC(=O)c1ccc2OC(=O)Nc2c1)[C@@H](O)c3ccccc3C |
| SMILES | CACTVS | 3.385 | CCC[CH](NC(=O)c1ccc2OC(=O)Nc2c1)[CH](O)c3ccccc3C |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CCC[C@H]([C@H](c1ccccc1C)O)NC(=O)c2ccc3c(c2)NC(=O)O3 |
| SMILES | OpenEye OEToolkits | 2.0.7 | CCCC(C(c1ccccc1C)O)NC(=O)c2ccc3c(c2)NC(=O)O3 |
