1-(2-methylphenyl)isoquinoline-4-carboxylic acid

Systemtic Name: 1-(2-methylphenyl)isoquinoline-4-carboxylic acid Openeye Name: 1-(o-tolyl)isoquinoline-4-carboxylic acid CAS Name: 1-(2-methylphenyl)-4-isoquinolinecarboxylic acid IUPAC Name: 1-(2-methylphenyl)isoquinoline-4-carboxylic acid Traditional Name: 1-(o-tolyl)isoquinoline-4-carboxylic acid Formula: C17H13NO2 MolecularWeight: 263.29062

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C2=NC=C(C3=CC=CC=C32)C(=O)O

Isomeric SMILES

CC1=CC=CC=C1C2=NC=C(C3=CC=CC=C32)C(=O)O

InChI

InChI=1S/C17H13NO2/c1-11-6-2-3-7-12(11)16-14-9-5-4-8-13(14)15(10-18-16)17(19)20/h2-10H,1H3,(H,19,20)