2-[2-[3-[4-(2-methoxyquinolin-6-yl)phenyl]-3-oxidanyl-piperidin-1-yl]-2-oxidanylidene-ethyl]-2-oxidanyl-butanedioic acid

Systemtic Name: 2-[2-[3-[4-(2-methoxyquinolin-6-yl)phenyl]-3-oxidanyl-piperidin-1-yl]-2-oxidanylidene-ethyl]-2-oxidanyl-butanedioic acid Openeye Name: 2-hydroxy-2-[2-[3-hydroxy-3-[4-(2-methoxy-6-quinolyl)phenyl]-1-piperidyl]-2-oxo-ethyl]butanedioic acid CAS Name: 2-hydroxy-2-[2-[3-hydroxy-3-[4-(2-methoxy-6-quinolinyl)phenyl]-1-piperidinyl]-2-oxoethyl]butanedioic acid IUPAC Name: 2-hydroxy-2-[2-[3-hydroxy-3-[4-(2-methoxyquinolin-6-yl)phenyl]piperidin-1-yl]-2-oxoethyl]butanedioic acid Traditional Name: 2-hydroxy-2-[2-[3-hydroxy-3-[4-(2-methoxy-6-quinolyl)phenyl]piperidino]-2-keto-ethyl]succinic acid Formula: C27H28N2O8 MolecularWeight: 508.51982

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Descriptors Computed from Structure

Canonical SMILES:

COC1=NC2=C(C=C1)C=C(C=C2)C3=CC=C(C=C3)C4(CCCN(C4)C(=O)CC(CC(=O)O)(C(=O)O)O)O

Isomeric SMILES

COC1=NC2=C(C=C1)C=C(C=C2)C3=CC=C(C=C3)C4(CCCN(C4)C(=O)CC(CC(=O)O)(C(=O)O)O)O

InChI

InChI=1S/C27H28N2O8/c1-37-22-10-6-19-13-18(5-9-21(19)28-22)17-3-7-20(8-4-17)26(35)11-2-12-29(16-26)23(30)14-27(36,25(33)34)15-24(31)32/h3-10,13,35-36H,2,11-12,14-16H2,1H3,(H,31,32)(H,33,34)