Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | c1(cc(c(cc1C(O)=O)Cl)N[C@H]=CC(c2ccc(cc2)OC)=O)OC |
InChI | InChI | 1.03 | InChI=1S/C18H16ClNO5/c1-24-12-5-3-11(4-6-12)16(21)7-8-20-15-10-17(25-2)13(18(22)23)9-14(15)19/h3-10,20H,1-2H3,(H,22,23)/b8-7- |
InChIKey | InChI | 1.03 | KFXXLYWMHLDCLE-FPLPWBNLSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | COc1ccc(cc1)C(=O)\C=C/Nc2cc(OC)c(cc2Cl)C(O)=O |
SMILES | CACTVS | 3.385 | COc1ccc(cc1)C(=O)C=CNc2cc(OC)c(cc2Cl)C(O)=O |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | COc1ccc(cc1)C(=O)/C=C\Nc2cc(c(cc2Cl)C(=O)O)OC |
SMILES | OpenEye OEToolkits | 2.0.6 | COc1ccc(cc1)C(=O)C=CNc2cc(c(cc2Cl)C(=O)O)OC |