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

Systemtic Name: methyl 4-[1-(3,4-diethoxyphenyl)-6,7-diethoxy-3-oxidanylidene-1,4-dihydroisoquinolin-2-yl]benzoate Openeye Name: methyl 4-[1-(3,4-diethoxyphenyl)-6,7-diethoxy-3-oxo-1,4-dihydroisoquinolin-2-yl]benzoate CAS Name: 4-[1-(3,4-diethoxyphenyl)-6,7-diethoxy-3-oxo-1,4-dihydroisoquinolin-2-yl]benzoic acid methyl ester IUPAC Name: methyl 4-[1-(3,4-diethoxyphenyl)-6,7-diethoxy-3-oxo-1,4-dihydroisoquinolin-2-yl]benzoate Traditional Name: 4-[1-(3,4-diethoxyphenyl)-6,7-diethoxy-3-keto-1,4-dihydroisoquinolin-2-yl]benzoic acid methyl ester Formula: C31H35NO7 MolecularWeight: 533.6121

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C31H35NO7/c1-6-36-25-15-12-21(16-26(25)37-7-2)30-24-19-28(39-9-4)27(38-8-3)17-22(24)18-29(33)32(30)23-13-10-20(11-14-23)31(34)35-5/h10-17,19,30H,6-9,18H2,1-5H3