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

Systemtic Name: ethyl 4-[1-(4-ethoxyphenyl)-6,7-dimethoxy-3-oxidanylidene-1,4-dihydroisoquinolin-2-yl]benzoate Openeye Name: ethyl 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 ethyl ester IUPAC Name: ethyl 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 ethyl ester Formula: C28H29NO6 MolecularWeight: 475.53296

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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)OCC)OC)OC

Isomeric SMILES

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

InChI

InChI=1S/C28H29NO6/c1-5-34-22-13-9-18(10-14-22)27-23-17-25(33-4)24(32-3)15-20(23)16-26(30)29(27)21-11-7-19(8-12-21)28(31)35-6-2/h7-15,17,27H,5-6,16H2,1-4H3