Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | O=C(O)C(N)CCC(=O)Nc2ccc(OCC(O)c1ccccc1)cc2 |
SMILES_CANONICAL | CACTVS | 3.341 | N[C@@H](CCC(=O)Nc1ccc(OC[C@@H](O)c2ccccc2)cc1)C(O)=O |
SMILES | CACTVS | 3.341 | N[CH](CCC(=O)Nc1ccc(OC[CH](O)c2ccccc2)cc1)C(O)=O |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1ccc(cc1)[C@@H](COc2ccc(cc2)NC(=O)CC[C@@H](C(=O)O)N)O |
SMILES | OpenEye OEToolkits | 1.5.0 | c1ccc(cc1)C(COc2ccc(cc2)NC(=O)CCC(C(=O)O)N)O |
InChI | InChI | 1.03 | InChI=1S/C19H22N2O5/c20-16(19(24)25)10-11-18(23)21-14-6-8-15(9-7-14)26-12-17(22)13-4-2-1-3-5-13/h1-9,16-17,22H,10-12,20H2,(H,21,23)(H,24,25)/t16-,17+/m0/s1 |
InChIKey | InChI | 1.03 | HHPPMARBWOSMFL-DLBZAZTESA-N |