phenacyl 2-methyl-4-(4-methylphenyl)-1-oxidanylidene-isoquinoline-3-carboxylate

Systemtic Name: phenacyl 2-methyl-4-(4-methylphenyl)-1-oxidanylidene-isoquinoline-3-carboxylate Openeye Name: phenacyl 2-methyl-1-oxo-4-(p-tolyl)isoquinoline-3-carboxylate CAS Name: 2-methyl-4-(4-methylphenyl)-1-oxo-3-isoquinolinecarboxylic acid phenacyl ester IUPAC Name: phenacyl 2-methyl-4-(4-methylphenyl)-1-oxoisoquinoline-3-carboxylate Traditional Name: 1-keto-2-methyl-4-(p-tolyl)isoquinoline-3-carboxylic acid phenacyl ester Formula: C26H21NO4 MolecularWeight: 411.44924

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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=CC=C4

Isomeric SMILES

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

InChI

InChI=1S/C26H21NO4/c1-17-12-14-19(15-13-17)23-20-10-6-7-11-21(20)25(29)27(2)24(23)26(30)31-16-22(28)18-8-4-3-5-9-18/h3-15H,16H2,1-2H3