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

Systemtic Name: 3-[6,7-dimethoxy-1-(4-methoxyphenyl)-3-oxidanylidene-1,4-dihydroisoquinolin-2-yl]benzoic acid Openeye Name: 3-[6,7-dimethoxy-1-(4-methoxyphenyl)-3-oxo-1,4-dihydroisoquinolin-2-yl]benzoic acid CAS Name: 3-[6,7-dimethoxy-1-(4-methoxyphenyl)-3-oxo-1,4-dihydroisoquinolin-2-yl]benzoic acid IUPAC Name: 3-[6,7-dimethoxy-1-(4-methoxyphenyl)-3-oxo-1,4-dihydroisoquinolin-2-yl]benzoic acid Traditional Name: 3-[3-keto-6,7-dimethoxy-1-(4-methoxyphenyl)-1,4-dihydroisoquinolin-2-yl]benzoic acid Formula: C25H23NO6 MolecularWeight: 433.45322

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2C3=CC(=C(C=C3CC(=O)N2C4=CC=CC(=C4)C(=O)O)OC)OC

Isomeric SMILES

COC1=CC=C(C=C1)C2C3=CC(=C(C=C3CC(=O)N2C4=CC=CC(=C4)C(=O)O)OC)OC

InChI

InChI=1S/C25H23NO6/c1-30-19-9-7-15(8-10-19)24-20-14-22(32-3)21(31-2)12-17(20)13-23(27)26(24)18-6-4-5-16(11-18)25(28)29/h4-12,14,24H,13H2,1-3H3,(H,28,29)