1-[(3-methylphenyl)amino]isoquinoline-3-carboxylic acid

Systemtic Name: 1-[(3-methylphenyl)amino]isoquinoline-3-carboxylic acid Openeye Name: 1-(3-methylanilino)isoquinoline-3-carboxylic acid CAS Name: 1-(3-methylanilino)-3-isoquinolinecarboxylic acid IUPAC Name: 1-(3-methylanilino)isoquinoline-3-carboxylic acid Traditional Name: 1-(m-toluidino)isoquinoline-3-carboxylic acid Formula: C17H14N2O2 MolecularWeight: 278.30526

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC2=NC(=CC3=CC=CC=C32)C(=O)O

Isomeric SMILES

CC1=CC(=CC=C1)NC2=NC(=CC3=CC=CC=C32)C(=O)O

InChI

InChI=1S/C17H14N2O2/c1-11-5-4-7-13(9-11)18-16-14-8-3-2-6-12(14)10-15(19-16)17(20)21/h2-10H,1H3,(H,18,19)(H,20,21)