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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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