1-[(2-methylphenyl)amino]isoquinoline-3-carboxylic acid

Systemtic Name: 1-[(2-methylphenyl)amino]isoquinoline-3-carboxylic acid Openeye Name: 1-(2-methylanilino)isoquinoline-3-carboxylic acid CAS Name: 1-(2-methylanilino)-3-isoquinolinecarboxylic acid IUPAC Name: 1-(2-methylanilino)isoquinoline-3-carboxylic acid Traditional Name: 1-(o-toluidino)isoquinoline-3-carboxylic acid Formula: C17H14N2O2 MolecularWeight: 278.30526

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC2=NC(=CC3=CC=CC=C32)C(=O)O

Isomeric SMILES

CC1=CC=CC=C1NC2=NC(=CC3=CC=CC=C32)C(=O)O

InChI

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