2-(3-butoxyphenyl)-8-ethyl-quinoline-4-carboxylic acid

Systemtic Name: 2-(3-butoxyphenyl)-8-ethyl-quinoline-4-carboxylic acid Openeye Name: 2-(3-butoxyphenyl)-8-ethyl-quinoline-4-carboxylic acid CAS Name: 2-(3-butoxyphenyl)-8-ethyl-4-quinolinecarboxylic acid IUPAC Name: 2-(3-butoxyphenyl)-8-ethylquinoline-4-carboxylic acid Traditional Name: 2-(3-butoxyphenyl)-8-ethyl-cinchoninic acid Formula: C22H23NO3 MolecularWeight: 349.42292

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=CC(=C1)C2=NC3=C(C=CC=C3CC)C(=C2)C(=O)O

Isomeric SMILES

CCCCOC1=CC=CC(=C1)C2=NC3=C(C=CC=C3CC)C(=C2)C(=O)O

InChI

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