2-(3-butoxyphenyl)quinoline-4-carboxylic acid

Systemtic Name: 2-(3-butoxyphenyl)quinoline-4-carboxylic acid Openeye Name: 2-(3-butoxyphenyl)quinoline-4-carboxylic acid CAS Name: 2-(3-butoxyphenyl)-4-quinolinecarboxylic acid IUPAC Name: 2-(3-butoxyphenyl)quinoline-4-carboxylic acid Traditional Name: 2-(3-butoxyphenyl)cinchoninic acid Formula: C20H19NO3 MolecularWeight: 321.36976

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=CC(=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)O

Isomeric SMILES

CCCCOC1=CC=CC(=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)O

InChI

InChI=1S/C20H19NO3/c1-2-3-11-24-15-8-6-7-14(12-15)19-13-17(20(22)23)16-9-4-5-10-18(16)21-19/h4-10,12-13H,2-3,11H2,1H3,(H,22,23)