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

Systemtic Name: 4-[1-(4-ethoxyphenyl)-6,7-dimethoxy-3-oxidanylidene-1,4-dihydroisoquinolin-2-yl]benzoic acid Openeye Name: 4-[1-(4-ethoxyphenyl)-6,7-dimethoxy-3-oxo-1,4-dihydroisoquinolin-2-yl]benzoic acid CAS Name: 4-[1-(4-ethoxyphenyl)-6,7-dimethoxy-3-oxo-1,4-dihydroisoquinolin-2-yl]benzoic acid IUPAC Name: 4-[1-(4-ethoxyphenyl)-6,7-dimethoxy-3-oxo-1,4-dihydroisoquinolin-2-yl]benzoic acid Traditional Name: 4-(3-keto-6,7-dimethoxy-1-p-phenetyl-1,4-dihydroisoquinolin-2-yl)benzoic acid Formula: C26H25NO6 MolecularWeight: 447.4798

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C2C3=CC(=C(C=C3CC(=O)N2C4=CC=C(C=C4)C(=O)O)OC)OC

Isomeric SMILES

CCOC1=CC=C(C=C1)C2C3=CC(=C(C=C3CC(=O)N2C4=CC=C(C=C4)C(=O)O)OC)OC

InChI

InChI=1S/C26H25NO6/c1-4-33-20-11-7-16(8-12-20)25-21-15-23(32-3)22(31-2)13-18(21)14-24(28)27(25)19-9-5-17(6-10-19)26(29)30/h5-13,15,25H,4,14H2,1-3H3,(H,29,30)