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

Systemtic Name: methyl 4-[6,7-diethoxy-1-(3-methylphenyl)-3-oxidanylidene-1,4-dihydroisoquinolin-2-yl]benzoate Openeye Name: methyl 4-[6,7-diethoxy-1-(m-tolyl)-3-oxo-1,4-dihydroisoquinolin-2-yl]benzoate CAS Name: 4-[6,7-diethoxy-1-(3-methylphenyl)-3-oxo-1,4-dihydroisoquinolin-2-yl]benzoic acid methyl ester IUPAC Name: methyl 4-[6,7-diethoxy-1-(3-methylphenyl)-3-oxo-1,4-dihydroisoquinolin-2-yl]benzoate Traditional Name: 4-[6,7-diethoxy-3-keto-1-(m-tolyl)-1,4-dihydroisoquinolin-2-yl]benzoic acid methyl ester Formula: C28H29NO5 MolecularWeight: 459.53356

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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(=CC=C4)C)OCC

Isomeric SMILES

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

InChI

InChI=1S/C28H29NO5/c1-5-33-24-15-21-16-26(30)29(22-12-10-19(11-13-22)28(31)32-4)27(20-9-7-8-18(3)14-20)23(21)17-25(24)34-6-2/h7-15,17,27H,5-6,16H2,1-4H3