4-[(7-chloranyl-2-methoxycarbonyl-4-oxidanylidene-1-phenyl-quinolin-3-yl)methyl]benzoic acid

Systemtic Name: 4-[(7-chloranyl-2-methoxycarbonyl-4-oxidanylidene-1-phenyl-quinolin-3-yl)methyl]benzoic acid Openeye Name: 4-[(7-chloro-2-methoxycarbonyl-4-oxo-1-phenyl-3-quinolyl)methyl]benzoic acid CAS Name: 4-[(7-chloro-2-methoxycarbonyl-4-oxo-1-phenyl-3-quinolinyl)methyl]benzoic acid IUPAC Name: 4-[(7-chloro-2-methoxycarbonyl-4-oxo-1-phenylquinolin-3-yl)methyl]benzoic acid Traditional Name: 4-[(2-carbomethoxy-7-chloro-4-keto-1-phenyl-3-quinolyl)methyl]benzoic acid Formula: C25H18ClNO5 MolecularWeight: 447.86712

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C(=O)C2=C(N1C3=CC=CC=C3)C=C(C=C2)Cl)CC4=CC=C(C=C4)C(=O)O

Isomeric SMILES

COC(=O)C1=C(C(=O)C2=C(N1C3=CC=CC=C3)C=C(C=C2)Cl)CC4=CC=C(C=C4)C(=O)O

InChI

InChI=1S/C25H18ClNO5/c1-32-25(31)22-20(13-15-7-9-16(10-8-15)24(29)30)23(28)19-12-11-17(26)14-21(19)27(22)18-5-3-2-4-6-18/h2-12,14H,13H2,1H3,(H,29,30)