2-methyl-4-(4-methylphenyl)-1-oxidanylidene-isoquinoline-3-carboxylic acid

Systemtic Name: 2-methyl-4-(4-methylphenyl)-1-oxidanylidene-isoquinoline-3-carboxylic acid Openeye Name: 2-methyl-1-oxo-4-(p-tolyl)isoquinoline-3-carboxylic acid CAS Name: 2-methyl-4-(4-methylphenyl)-1-oxo-3-isoquinolinecarboxylic acid IUPAC Name: 2-methyl-4-(4-methylphenyl)-1-oxoisoquinoline-3-carboxylic acid Traditional Name: 1-keto-2-methyl-4-(p-tolyl)isoquinoline-3-carboxylic acid Formula: C18H15NO3 MolecularWeight: 293.3166

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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)O

Isomeric SMILES

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

InChI

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