1-[(4-methylphenyl)amino]isoquinoline-3-carboxylic acid

Systemtic Name: 1-[(4-methylphenyl)amino]isoquinoline-3-carboxylic acid Openeye Name: 1-(4-methylanilino)isoquinoline-3-carboxylic acid CAS Name: 1-(4-methylanilino)-3-isoquinolinecarboxylic acid IUPAC Name: 1-(4-methylanilino)isoquinoline-3-carboxylic acid Traditional Name: 1-(p-toluidino)isoquinoline-3-carboxylic acid Formula: C17H14N2O2 MolecularWeight: 278.30526

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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