4-[[4-(3-chlorophenyl)-2-oxidanylidene-1H-quinolin-6-yl]-(3-methylimidazol-4-yl)-oxidanyl-methyl]benzoic acid

Systemtic Name: 4-[[4-(3-chlorophenyl)-2-oxidanylidene-1H-quinolin-6-yl]-(3-methylimidazol-4-yl)-oxidanyl-methyl]benzoic acid Openeye Name: 4-[[4-(3-chlorophenyl)-2-oxo-1H-quinolin-6-yl]-hydroxy-(3-methylimidazol-4-yl)methyl]benzoic acid CAS Name: 4-[[4-(3-chlorophenyl)-2-oxo-1H-quinolin-6-yl]-hydroxy-(3-methyl-4-imidazolyl)methyl]benzoic acid IUPAC Name: 4-[[4-(3-chlorophenyl)-2-oxo-1H-quinolin-6-yl]-hydroxy-(3-methylimidazol-4-yl)methyl]benzoic acid Traditional Name: 4-[[4-(3-chlorophenyl)-2-keto-1H-quinolin-6-yl]-hydroxy-(3-methylimidazol-4-yl)methyl]benzoic acid Formula: C27H20ClN3O4 MolecularWeight: 485.9184

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C=NC=C1C(C2=CC=C(C=C2)C(=O)O)(C3=CC4=C(C=C3)NC(=O)C=C4C5=CC(=CC=C5)Cl)O

Isomeric SMILES

CN1C=NC=C1C(C2=CC=C(C=C2)C(=O)O)(C3=CC4=C(C=C3)NC(=O)C=C4C5=CC(=CC=C5)Cl)O

InChI

InChI=1S/C27H20ClN3O4/c1-31-15-29-14-24(31)27(35,18-7-5-16(6-8-18)26(33)34)19-9-10-23-22(12-19)21(13-25(32)30-23)17-3-2-4-20(28)11-17/h2-15,35H,1H3,(H,30,32)(H,33,34)