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

Systemtic Name: (phenylmethyl) 2-methyl-4-(2-methylphenyl)-1-oxidanylidene-isoquinoline-3-carboxylate Openeye Name: benzyl 2-methyl-4-(o-tolyl)-1-oxo-isoquinoline-3-carboxylate CAS Name: 2-methyl-4-(2-methylphenyl)-1-oxo-3-isoquinolinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 2-methyl-4-(2-methylphenyl)-1-oxoisoquinoline-3-carboxylate Traditional Name: 1-keto-2-methyl-4-(o-tolyl)isoquinoline-3-carboxylic acid benzyl ester Formula: C25H21NO3 MolecularWeight: 383.43914

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C2=C(N(C(=O)C3=CC=CC=C32)C)C(=O)OCC4=CC=CC=C4

Isomeric SMILES

CC1=CC=CC=C1C2=C(N(C(=O)C3=CC=CC=C32)C)C(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C25H21NO3/c1-17-10-6-7-13-19(17)22-20-14-8-9-15-21(20)24(27)26(2)23(22)25(28)29-16-18-11-4-3-5-12-18/h3-15H,16H2,1-2H3