Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O=C(N1C(C(=O)O)CCC1)CNC(=O)OCc2ccccc2 |
SMILES_CANONICAL | CACTVS | 3.370 | OC(=O)[C@@H]1CCCN1C(=O)CNC(=O)OCc2ccccc2 |
SMILES | CACTVS | 3.370 | OC(=O)[CH]1CCCN1C(=O)CNC(=O)OCc2ccccc2 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | c1ccc(cc1)COC(=O)NCC(=O)N2CCC[C@H]2C(=O)O |
SMILES | OpenEye OEToolkits | 1.7.0 | c1ccc(cc1)COC(=O)NCC(=O)N2CCCC2C(=O)O |
InChI | InChI | 1.03 | InChI=1S/C15H18N2O5/c18-13(17-8-4-7-12(17)14(19)20)9-16-15(21)22-10-11-5-2-1-3-6-11/h1-3,5-6,12H,4,7-10H2,(H,16,21)(H,19,20)/t12-/m0/s1 |
InChIKey | InChI | 1.03 | ZTUKZKYDJMGJDC-LBPRGKRZSA-N |