2-[(3-ethylphenyl)amino]quinoline-4-carboxylic acid

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=CC=C1)NC2=NC3=CC=CC=C3C(=C2)C(=O)O

Isomeric SMILES

CCC1=CC(=CC=C1)NC2=NC3=CC=CC=C3C(=C2)C(=O)O

InChI

InChI=1S/C18H16N2O2/c1-2-12-6-5-7-13(10-12)19-17-11-15(18(21)22)14-8-3-4-9-16(14)20-17/h3-11H,2H2,1H3,(H,19,20)(H,21,22)