6-butyl-2-(2-ethoxyphenyl)quinoline-4-carboxylic acid

Systemtic Name: 6-butyl-2-(2-ethoxyphenyl)quinoline-4-carboxylic acid Openeye Name: 6-butyl-2-(2-ethoxyphenyl)quinoline-4-carboxylic acid CAS Name: 6-butyl-2-(2-ethoxyphenyl)-4-quinolinecarboxylic acid IUPAC Name: 6-butyl-2-(2-ethoxyphenyl)quinoline-4-carboxylic acid Traditional Name: 6-butyl-2-o-phenetyl-cinchoninic acid Formula: C22H23NO3 MolecularWeight: 349.42292

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC2=C(C=C1)N=C(C=C2C(=O)O)C3=CC=CC=C3OCC

Isomeric SMILES

CCCCC1=CC2=C(C=C1)N=C(C=C2C(=O)O)C3=CC=CC=C3OCC

InChI

InChI=1S/C22H23NO3/c1-3-5-8-15-11-12-19-17(13-15)18(22(24)25)14-20(23-19)16-9-6-7-10-21(16)26-4-2/h6-7,9-14H,3-5,8H2,1-2H3,(H,24,25)