hexyl 6-bromanyl-2-(4-bromophenyl)quinoline-4-carboxylate

Systemtic Name: hexyl 6-bromanyl-2-(4-bromophenyl)quinoline-4-carboxylate Openeye Name: hexyl 6-bromo-2-(4-bromophenyl)quinoline-4-carboxylate CAS Name: 6-bromo-2-(4-bromophenyl)-4-quinolinecarboxylic acid hexyl ester IUPAC Name: hexyl 6-bromo-2-(4-bromophenyl)quinoline-4-carboxylate Traditional Name: 6-bromo-2-(4-bromophenyl)cinchoninic acid hexyl ester Formula: C22H21Br2NO2 MolecularWeight: 491.21564

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC(=O)C1=CC(=NC2=C1C=C(C=C2)Br)C3=CC=C(C=C3)Br

Isomeric SMILES

CCCCCCOC(=O)C1=CC(=NC2=C1C=C(C=C2)Br)C3=CC=C(C=C3)Br

InChI

InChI=1S/C22H21Br2NO2/c1-2-3-4-5-12-27-22(26)19-14-21(15-6-8-16(23)9-7-15)25-20-11-10-17(24)13-18(19)20/h6-11,13-14H,2-5,12H2,1H3