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

Systemtic Name: methyl 4-[1-(4-ethoxyphenyl)-6,7-dimethoxy-3-oxidanylidene-1,4-dihydroisoquinolin-2-yl]benzoate Openeye Name: methyl 4-[1-(4-ethoxyphenyl)-6,7-dimethoxy-3-oxo-1,4-dihydroisoquinolin-2-yl]benzoate CAS Name: 4-[1-(4-ethoxyphenyl)-6,7-dimethoxy-3-oxo-1,4-dihydroisoquinolin-2-yl]benzoic acid methyl ester IUPAC Name: methyl 4-[1-(4-ethoxyphenyl)-6,7-dimethoxy-3-oxo-1,4-dihydroisoquinolin-2-yl]benzoate Traditional Name: 4-(3-keto-6,7-dimethoxy-1-p-phenetyl-1,4-dihydroisoquinolin-2-yl)benzoic acid methyl ester Formula: C27H27NO6 MolecularWeight: 461.50638

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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)OC)OC)OC

Isomeric SMILES

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

InChI

InChI=1S/C27H27NO6/c1-5-34-21-12-8-17(9-13-21)26-22-16-24(32-3)23(31-2)14-19(22)15-25(29)28(26)20-10-6-18(7-11-20)27(30)33-4/h6-14,16,26H,5,15H2,1-4H3