(2-oxidanylidene-2-pyridin-2-yl-ethyl) 2-methyl-4-(4-methylphenyl)-1-oxidanylidene-isoquinoline-3-carboxylate

Systemtic Name: (2-oxidanylidene-2-pyridin-2-yl-ethyl) 2-methyl-4-(4-methylphenyl)-1-oxidanylidene-isoquinoline-3-carboxylate Openeye Name: [2-oxo-2-(2-pyridyl)ethyl] 2-methyl-1-oxo-4-(p-tolyl)isoquinoline-3-carboxylate CAS Name: 2-methyl-4-(4-methylphenyl)-1-oxo-3-isoquinolinecarboxylic acid [2-oxo-2-(2-pyridinyl)ethyl] ester IUPAC Name: (2-oxo-2-pyridin-2-ylethyl) 2-methyl-4-(4-methylphenyl)-1-oxoisoquinoline-3-carboxylate Traditional Name: 1-keto-2-methyl-4-(p-tolyl)isoquinoline-3-carboxylic acid [2-keto-2-(2-pyridyl)ethyl] ester Formula: C25H20N2O4 MolecularWeight: 412.4373

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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=N4

Isomeric SMILES

CC1=CC=C(C=C1)C2=C(N(C(=O)C3=CC=CC=C32)C)C(=O)OCC(=O)C4=CC=CC=N4

InChI

InChI=1S/C25H20N2O4/c1-16-10-12-17(13-11-16)22-18-7-3-4-8-19(18)24(29)27(2)23(22)25(30)31-15-21(28)20-9-5-6-14-26-20/h3-14H,15H2,1-2H3