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

Systemtic Name: methyl 4-[1-(3,4-dimethoxyphenyl)-6,7-diethoxy-3-oxidanylidene-1,4-dihydroisoquinolin-2-yl]benzoate Openeye Name: methyl 4-[1-(3,4-dimethoxyphenyl)-6,7-diethoxy-3-oxo-1,4-dihydroisoquinolin-2-yl]benzoate CAS Name: 4-[1-(3,4-dimethoxyphenyl)-6,7-diethoxy-3-oxo-1,4-dihydroisoquinolin-2-yl]benzoic acid methyl ester IUPAC Name: methyl 4-[1-(3,4-dimethoxyphenyl)-6,7-diethoxy-3-oxo-1,4-dihydroisoquinolin-2-yl]benzoate Traditional Name: 4-[1-(3,4-dimethoxyphenyl)-6,7-diethoxy-3-keto-1,4-dihydroisoquinolin-2-yl]benzoic acid methyl ester Formula: C29H31NO7 MolecularWeight: 505.55894

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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)OC)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)OC)OC)OCC

InChI

InChI=1S/C29H31NO7/c1-6-36-25-15-20-16-27(31)30(21-11-8-18(9-12-21)29(32)35-5)28(22(20)17-26(25)37-7-2)19-10-13-23(33-3)24(14-19)34-4/h8-15,17,28H,6-7,16H2,1-5H3