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

Systemtic Name: 4-[1-(3,4-dimethoxyphenyl)-6,7-dimethoxy-3-oxidanylidene-1,4-dihydroisoquinolin-2-yl]benzoic acid Openeye Name: 4-[1-(3,4-dimethoxyphenyl)-6,7-dimethoxy-3-oxo-1,4-dihydroisoquinolin-2-yl]benzoic acid CAS Name: 4-[1-(3,4-dimethoxyphenyl)-6,7-dimethoxy-3-oxo-1,4-dihydroisoquinolin-2-yl]benzoic acid IUPAC Name: 4-[1-(3,4-dimethoxyphenyl)-6,7-dimethoxy-3-oxo-1,4-dihydroisoquinolin-2-yl]benzoic acid Traditional Name: 4-[1-(3,4-dimethoxyphenyl)-3-keto-6,7-dimethoxy-1,4-dihydroisoquinolin-2-yl]benzoic acid Formula: C26H25NO7 MolecularWeight: 463.4792

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H25NO7/c1-31-20-10-7-16(11-21(20)32-2)25-19-14-23(34-4)22(33-3)12-17(19)13-24(28)27(25)18-8-5-15(6-9-18)26(29)30/h5-12,14,25H,13H2,1-4H3,(H,29,30)