[2-(4-chlorophenyl)-2-oxidanylidene-ethyl] 2-methyl-4-(4-methylphenyl)-1-oxidanylidene-isoquinoline-3-carboxylate

Systemtic Name: [2-(4-chlorophenyl)-2-oxidanylidene-ethyl] 2-methyl-4-(4-methylphenyl)-1-oxidanylidene-isoquinoline-3-carboxylate Openeye Name: [2-(4-chlorophenyl)-2-oxo-ethyl] 2-methyl-1-oxo-4-(p-tolyl)isoquinoline-3-carboxylate CAS Name: 2-methyl-4-(4-methylphenyl)-1-oxo-3-isoquinolinecarboxylic acid [2-(4-chlorophenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-chlorophenyl)-2-oxoethyl] 2-methyl-4-(4-methylphenyl)-1-oxoisoquinoline-3-carboxylate Traditional Name: 1-keto-2-methyl-4-(p-tolyl)isoquinoline-3-carboxylic acid [2-(4-chlorophenyl)-2-keto-ethyl] ester Formula: C26H20ClNO4 MolecularWeight: 445.8943

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=C(N(C(=O)C3=CC=CC=C32)C)C(=O)OCC(=O)C4=CC=C(C=C4)Cl

Isomeric SMILES

CC1=CC=C(C=C1)C2=C(N(C(=O)C3=CC=CC=C32)C)C(=O)OCC(=O)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C26H20ClNO4/c1-16-7-9-18(10-8-16)23-20-5-3-4-6-21(20)25(30)28(2)24(23)26(31)32-15-22(29)17-11-13-19(27)14-12-17/h3-14H,15H2,1-2H3