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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)COC(=O)C2=C(C3=CC=CC=C3C(=O)N2C)C4=CC=C(C=C4)Cl

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)COC(=O)C2=C(C3=CC=CC=C3C(=O)N2C)C4=CC=C(C=C4)Cl

InChI

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