6-butyl-2-(3,4-dimethoxyphenyl)quinoline-4-carboxylic acid

Systemtic Name: 6-butyl-2-(3,4-dimethoxyphenyl)quinoline-4-carboxylic acid Openeye Name: 6-butyl-2-(3,4-dimethoxyphenyl)quinoline-4-carboxylic acid CAS Name: 6-butyl-2-(3,4-dimethoxyphenyl)-4-quinolinecarboxylic acid IUPAC Name: 6-butyl-2-(3,4-dimethoxyphenyl)quinoline-4-carboxylic acid Traditional Name: 6-butyl-2-(3,4-dimethoxyphenyl)cinchoninic acid Formula: C22H23NO4 MolecularWeight: 365.42232

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(=C(C=C3)OC)OC

Isomeric SMILES

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

InChI

InChI=1S/C22H23NO4/c1-4-5-6-14-7-9-18-16(11-14)17(22(24)25)13-19(23-18)15-8-10-20(26-2)21(12-15)27-3/h7-13H,4-6H2,1-3H3,(H,24,25)