Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O=CN(O)CC(NC(=O)OC(C)(C)C)Cc1ccccc1 |
SMILES_CANONICAL | CACTVS | 3.370 | CC(C)(C)OC(=O)N[C@H](CN(O)C=O)Cc1ccccc1 |
SMILES | CACTVS | 3.370 | CC(C)(C)OC(=O)N[CH](CN(O)C=O)Cc1ccccc1 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)CN(C=O)O |
SMILES | OpenEye OEToolkits | 1.7.0 | CC(C)(C)OC(=O)NC(Cc1ccccc1)CN(C=O)O |
InChI | InChI | 1.03 | InChI=1S/C15H22N2O4/c1-15(2,3)21-14(19)16-13(10-17(20)11-18)9-12-7-5-4-6-8-12/h4-8,11,13,20H,9-10H2,1-3H3,(H,16,19)/t13-/m0/s1 |
InChIKey | InChI | 1.03 | WLOCWKYZMRXKHU-ZDUSSCGKSA-N |