4-(2,6-dimethylphenyl)-2-methyl-1-oxidanylidene-isoquinoline-3-carboxylic acid

Systemtic Name: 4-(2,6-dimethylphenyl)-2-methyl-1-oxidanylidene-isoquinoline-3-carboxylic acid Openeye Name: 4-(2,6-dimethylphenyl)-2-methyl-1-oxo-isoquinoline-3-carboxylic acid CAS Name: 4-(2,6-dimethylphenyl)-2-methyl-1-oxo-3-isoquinolinecarboxylic acid IUPAC Name: 4-(2,6-dimethylphenyl)-2-methyl-1-oxoisoquinoline-3-carboxylic acid Traditional Name: 4-(2,6-dimethylphenyl)-1-keto-2-methyl-isoquinoline-3-carboxylic acid Formula: C19H17NO3 MolecularWeight: 307.34318

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H17NO3/c1-11-7-6-8-12(2)15(11)16-13-9-4-5-10-14(13)18(21)20(3)17(16)19(22)23/h4-10H,1-3H3,(H,22,23)