ethyl 2-[[2-(4-ethoxyphenyl)-6,7-dimethoxy-1-oxidanylidene-isoquinolin-4-yl]carbonylamino]benzoate

Systemtic Name: ethyl 2-[[2-(4-ethoxyphenyl)-6,7-dimethoxy-1-oxidanylidene-isoquinolin-4-yl]carbonylamino]benzoate Openeye Name: ethyl 2-[[2-(4-ethoxyphenyl)-6,7-dimethoxy-1-oxo-isoquinoline-4-carbonyl]amino]benzoate CAS Name: 2-[[[2-(4-ethoxyphenyl)-6,7-dimethoxy-1-oxo-4-isoquinolinyl]-oxomethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 2-[[2-(4-ethoxyphenyl)-6,7-dimethoxy-1-oxoisoquinoline-4-carbonyl]amino]benzoate Traditional Name: 2-[(1-keto-6,7-dimethoxy-2-p-phenetyl-isoquinoline-4-carbonyl)amino]benzoic acid ethyl ester Formula: C29H28N2O7 MolecularWeight: 516.54182

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)N2C=C(C3=CC(=C(C=C3C2=O)OC)OC)C(=O)NC4=CC=CC=C4C(=O)OCC

Isomeric SMILES

CCOC1=CC=C(C=C1)N2C=C(C3=CC(=C(C=C3C2=O)OC)OC)C(=O)NC4=CC=CC=C4C(=O)OCC

InChI

InChI=1S/C29H28N2O7/c1-5-37-19-13-11-18(12-14-19)31-17-23(21-15-25(35-3)26(36-4)16-22(21)28(31)33)27(32)30-24-10-8-7-9-20(24)29(34)38-6-2/h7-17H,5-6H2,1-4H3,(H,30,32)