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

Systemtic Name: methyl 4-[2-(3-chlorophenyl)-6,7-diethoxy-3-oxidanylidene-1,4-dihydroisoquinolin-1-yl]benzoate Openeye Name: methyl 4-[2-(3-chlorophenyl)-6,7-diethoxy-3-oxo-1,4-dihydroisoquinolin-1-yl]benzoate CAS Name: 4-[2-(3-chlorophenyl)-6,7-diethoxy-3-oxo-1,4-dihydroisoquinolin-1-yl]benzoic acid methyl ester IUPAC Name: methyl 4-[2-(3-chlorophenyl)-6,7-diethoxy-3-oxo-1,4-dihydroisoquinolin-1-yl]benzoate Traditional Name: 4-[2-(3-chlorophenyl)-6,7-diethoxy-3-keto-1,4-dihydroisoquinolin-1-yl]benzoic acid methyl ester Formula: C27H26ClNO5 MolecularWeight: 479.95204

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H26ClNO5/c1-4-33-23-13-19-14-25(30)29(21-8-6-7-20(28)15-21)26(22(19)16-24(23)34-5-2)17-9-11-18(12-10-17)27(31)32-3/h6-13,15-16,26H,4-5,14H2,1-3H3