octyl 8-chloranyl-2-(4-methylphenyl)quinoline-4-carboxylate

Systemtic Name: octyl 8-chloranyl-2-(4-methylphenyl)quinoline-4-carboxylate Openeye Name: octyl 8-chloro-2-(p-tolyl)quinoline-4-carboxylate CAS Name: 8-chloro-2-(4-methylphenyl)-4-quinolinecarboxylic acid octyl ester IUPAC Name: octyl 8-chloro-2-(4-methylphenyl)quinoline-4-carboxylate Traditional Name: 8-chloro-2-(p-tolyl)cinchoninic acid octyl ester Formula: C25H28ClNO2 MolecularWeight: 409.94832

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC(=O)C1=CC(=NC2=C1C=CC=C2Cl)C3=CC=C(C=C3)C

Isomeric SMILES

CCCCCCCCOC(=O)C1=CC(=NC2=C1C=CC=C2Cl)C3=CC=C(C=C3)C

InChI

InChI=1S/C25H28ClNO2/c1-3-4-5-6-7-8-16-29-25(28)21-17-23(19-14-12-18(2)13-15-19)27-24-20(21)10-9-11-22(24)26/h9-15,17H,3-8,16H2,1-2H3