4-[1-(4-chlorophenyl)-6,7-dimethoxy-3-oxidanylidene-1,4-dihydroisoquinolin-2-yl]benzoic acid

Systemtic Name: 4-[1-(4-chlorophenyl)-6,7-dimethoxy-3-oxidanylidene-1,4-dihydroisoquinolin-2-yl]benzoic acid Openeye Name: 4-[1-(4-chlorophenyl)-6,7-dimethoxy-3-oxo-1,4-dihydroisoquinolin-2-yl]benzoic acid CAS Name: 4-[1-(4-chlorophenyl)-6,7-dimethoxy-3-oxo-1,4-dihydroisoquinolin-2-yl]benzoic acid IUPAC Name: 4-[1-(4-chlorophenyl)-6,7-dimethoxy-3-oxo-1,4-dihydroisoquinolin-2-yl]benzoic acid Traditional Name: 4-[1-(4-chlorophenyl)-3-keto-6,7-dimethoxy-1,4-dihydroisoquinolin-2-yl]benzoic acid Formula: C24H20ClNO5 MolecularWeight: 437.8723

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(N(C(=O)CC2=C1)C3=CC=C(C=C3)C(=O)O)C4=CC=C(C=C4)Cl)OC

Isomeric SMILES

COC1=C(C=C2C(N(C(=O)CC2=C1)C3=CC=C(C=C3)C(=O)O)C4=CC=C(C=C4)Cl)OC

InChI

InChI=1S/C24H20ClNO5/c1-30-20-11-16-12-22(27)26(18-9-5-15(6-10-18)24(28)29)23(19(16)13-21(20)31-2)14-3-7-17(25)8-4-14/h3-11,13,23H,12H2,1-2H3,(H,28,29)