methyl 1-(4-methylphenyl)-4-oxidanylidene-3H-isoquinoline-3-carboxylate

Systemtic Name: methyl 1-(4-methylphenyl)-4-oxidanylidene-3H-isoquinoline-3-carboxylate Openeye Name: methyl 4-oxo-1-(p-tolyl)-3H-isoquinoline-3-carboxylate CAS Name: 1-(4-methylphenyl)-4-oxo-3H-isoquinoline-3-carboxylic acid methyl ester IUPAC Name: methyl 1-(4-methylphenyl)-4-oxo-3H-isoquinoline-3-carboxylate Traditional Name: 4-keto-1-(p-tolyl)-3H-isoquinoline-3-carboxylic acid methyl ester Formula: C18H15NO3 MolecularWeight: 293.3166

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NC(C(=O)C3=CC=CC=C32)C(=O)OC

Isomeric SMILES

CC1=CC=C(C=C1)C2=NC(C(=O)C3=CC=CC=C32)C(=O)OC

InChI

InChI=1S/C18H15NO3/c1-11-7-9-12(10-8-11)15-13-5-3-4-6-14(13)17(20)16(19-15)18(21)22-2/h3-10,16H,1-2H3