Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O=C(O)C(N1C(=O)C(NCC1)Cc2ccccc2)CCCC |
InChI | InChI | 1.03 | InChI=1S/C17H24N2O3/c1-2-3-9-15(17(21)22)19-11-10-18-14(16(19)20)12-13-7-5-4-6-8-13/h4-8,14-15,18H,2-3,9-12H2,1H3,(H,21,22)/t14-,15+/m1/s1 |
InChIKey | InChI | 1.03 | XGTNRXVUBSVMCM-CABCVRRESA-N |
SMILES_CANONICAL | CACTVS | 3.370 | CCCC[C@H](N1CCN[C@H](Cc2ccccc2)C1=O)C(O)=O |
SMILES | CACTVS | 3.370 | CCCC[CH](N1CCN[CH](Cc2ccccc2)C1=O)C(O)=O |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | CCCC[C@@H](C(=O)O)N1CCN[C@@H](C1=O)Cc2ccccc2 |
SMILES | OpenEye OEToolkits | 1.7.6 | CCCCC(C(=O)O)N1CCNC(C1=O)Cc2ccccc2 |