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

Systemtic Name: 4-(3,4-dimethylphenyl)-2-(2-methylpropyl)-1-oxidanylidene-isoquinoline-3-carboxylic acid Openeye Name: 4-(3,4-dimethylphenyl)-2-isobutyl-1-oxo-isoquinoline-3-carboxylic acid CAS Name: 4-(3,4-dimethylphenyl)-2-(2-methylpropyl)-1-oxo-3-isoquinolinecarboxylic acid IUPAC Name: 4-(3,4-dimethylphenyl)-2-(2-methylpropyl)-1-oxoisoquinoline-3-carboxylic acid Traditional Name: 4-(3,4-dimethylphenyl)-2-isobutyl-1-keto-isoquinoline-3-carboxylic acid Formula: C22H23NO3 MolecularWeight: 349.42292

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H23NO3/c1-13(2)12-23-20(22(25)26)19(16-10-9-14(3)15(4)11-16)17-7-5-6-8-18(17)21(23)24/h5-11,13H,12H2,1-4H3,(H,25,26)