2-[(3,5-dimethylphenyl)amino]quinoline-4-carboxylic acid

Systemtic Name: 2-[(3,5-dimethylphenyl)amino]quinoline-4-carboxylic acid Openeye Name: 2-(3,5-dimethylanilino)quinoline-4-carboxylic acid CAS Name: 2-(3,5-dimethylanilino)-4-quinolinecarboxylic acid IUPAC Name: 2-(3,5-dimethylanilino)quinoline-4-carboxylic acid Traditional Name: 2-(3,5-dimethylanilino)cinchoninic acid Formula: C18H16N2O2 MolecularWeight: 292.33184

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)NC2=NC3=CC=CC=C3C(=C2)C(=O)O)C

Isomeric SMILES

CC1=CC(=CC(=C1)NC2=NC3=CC=CC=C3C(=C2)C(=O)O)C

InChI

InChI=1S/C18H16N2O2/c1-11-7-12(2)9-13(8-11)19-17-10-15(18(21)22)14-5-3-4-6-16(14)20-17/h3-10H,1-2H3,(H,19,20)(H,21,22)