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

Systemtic Name: methyl 4-(6,7-diethoxy-3-oxidanylidene-2-phenyl-1,4-dihydroisoquinolin-1-yl)benzoate Openeye Name: methyl 4-(6,7-diethoxy-3-oxo-2-phenyl-1,4-dihydroisoquinolin-1-yl)benzoate CAS Name: 4-(6,7-diethoxy-3-oxo-2-phenyl-1,4-dihydroisoquinolin-1-yl)benzoic acid methyl ester IUPAC Name: methyl 4-(6,7-diethoxy-3-oxo-2-phenyl-1,4-dihydroisoquinolin-1-yl)benzoate Traditional Name: 4-(6,7-diethoxy-3-keto-2-phenyl-1,4-dihydroisoquinolin-1-yl)benzoic acid methyl ester Formula: C27H27NO5 MolecularWeight: 445.50698

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H27NO5/c1-4-32-23-15-20-16-25(29)28(21-9-7-6-8-10-21)26(22(20)17-24(23)33-5-2)18-11-13-19(14-12-18)27(30)31-3/h6-15,17,26H,4-5,16H2,1-3H3