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

Systemtic Name: methyl 4-[6,7-diethoxy-2-(4-methoxycarbonylphenyl)-3-oxidanylidene-1,4-dihydroisoquinolin-1-yl]benzoate Openeye Name: methyl 4-[6,7-diethoxy-2-(4-methoxycarbonylphenyl)-3-oxo-1,4-dihydroisoquinolin-1-yl]benzoate CAS Name: 4-[6,7-diethoxy-2-(4-methoxycarbonylphenyl)-3-oxo-1,4-dihydroisoquinolin-1-yl]benzoic acid methyl ester IUPAC Name: methyl 4-[6,7-diethoxy-2-(4-methoxycarbonylphenyl)-3-oxo-1,4-dihydroisoquinolin-1-yl]benzoate Traditional Name: 4-[2-(4-carbomethoxyphenyl)-6,7-diethoxy-3-keto-1,4-dihydroisoquinolin-1-yl]benzoic acid methyl ester Formula: C29H29NO7 MolecularWeight: 503.54306

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C2C(N(C(=O)CC2=C1)C3=CC=C(C=C3)C(=O)OC)C4=CC=C(C=C4)C(=O)OC)OCC

Isomeric SMILES

CCOC1=C(C=C2C(N(C(=O)CC2=C1)C3=CC=C(C=C3)C(=O)OC)C4=CC=C(C=C4)C(=O)OC)OCC

InChI

InChI=1S/C29H29NO7/c1-5-36-24-15-21-16-26(31)30(22-13-11-20(12-14-22)29(33)35-4)27(23(21)17-25(24)37-6-2)18-7-9-19(10-8-18)28(32)34-3/h7-15,17,27H,5-6,16H2,1-4H3