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

Systemtic Name: 4-[[4-(3-chlorophenyl)-1-methyl-2-oxidanylidene-quinolin-6-yl]-(3-methylimidazol-4-yl)-oxidanyl-methyl]benzoic acid Openeye Name: 4-[[4-(3-chlorophenyl)-1-methyl-2-oxo-6-quinolyl]-hydroxy-(3-methylimidazol-4-yl)methyl]benzoic acid CAS Name: 4-[[4-(3-chlorophenyl)-1-methyl-2-oxo-6-quinolinyl]-hydroxy-(3-methyl-4-imidazolyl)methyl]benzoic acid IUPAC Name: 4-[[4-(3-chlorophenyl)-1-methyl-2-oxoquinolin-6-yl]-hydroxy-(3-methylimidazol-4-yl)methyl]benzoic acid Traditional Name: 4-[[4-(3-chlorophenyl)-2-keto-1-methyl-6-quinolyl]-hydroxy-(3-methylimidazol-4-yl)methyl]benzoic acid Formula: C28H22ClN3O4 MolecularWeight: 499.94498

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H22ClN3O4/c1-31-16-30-15-25(31)28(36,19-8-6-17(7-9-19)27(34)35)20-10-11-24-23(13-20)22(14-26(33)32(24)2)18-4-3-5-21(29)12-18/h3-16,36H,1-2H3,(H,34,35)