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

Systemtic Name: methyl 4-[6,7-diethoxy-3-oxidanylidene-2-(4-propan-2-ylphenyl)-1,4-dihydroisoquinolin-1-yl]benzoate Openeye Name: methyl 4-[6,7-diethoxy-2-(4-isopropylphenyl)-3-oxo-1,4-dihydroisoquinolin-1-yl]benzoate CAS Name: 4-[6,7-diethoxy-3-oxo-2-(4-propan-2-ylphenyl)-1,4-dihydroisoquinolin-1-yl]benzoic acid methyl ester IUPAC Name: methyl 4-[6,7-diethoxy-3-oxo-2-(4-propan-2-ylphenyl)-1,4-dihydroisoquinolin-1-yl]benzoate Traditional Name: 4-(6,7-diethoxy-3-keto-2-p-cumenyl-1,4-dihydroisoquinolin-1-yl)benzoic acid methyl ester Formula: C30H33NO5 MolecularWeight: 487.58672

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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(C)C)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(C)C)C4=CC=C(C=C4)C(=O)OC)OCC

InChI

InChI=1S/C30H33NO5/c1-6-35-26-16-23-17-28(32)31(24-14-12-20(13-15-24)19(3)4)29(25(23)18-27(26)36-7-2)21-8-10-22(11-9-21)30(33)34-5/h8-16,18-19,29H,6-7,17H2,1-5H3