(1-oxidanylidene-1-phenyl-butan-2-yl) 6-bromanyl-2-(4-bromophenyl)quinoline-4-carboxylate

Systemtic Name: (1-oxidanylidene-1-phenyl-butan-2-yl) 6-bromanyl-2-(4-bromophenyl)quinoline-4-carboxylate Openeye Name: 1-benzoylpropyl 6-bromo-2-(4-bromophenyl)quinoline-4-carboxylate CAS Name: 6-bromo-2-(4-bromophenyl)-4-quinolinecarboxylic acid (1-oxo-1-phenylbutan-2-yl) ester IUPAC Name: (1-oxo-1-phenylbutan-2-yl) 6-bromo-2-(4-bromophenyl)quinoline-4-carboxylate Traditional Name: 6-bromo-2-(4-bromophenyl)cinchoninic acid 1-benzoylpropyl ester Formula: C26H19Br2NO3 MolecularWeight: 553.24196

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)C1=CC=CC=C1)OC(=O)C2=CC(=NC3=C2C=C(C=C3)Br)C4=CC=C(C=C4)Br

Isomeric SMILES

CCC(C(=O)C1=CC=CC=C1)OC(=O)C2=CC(=NC3=C2C=C(C=C3)Br)C4=CC=C(C=C4)Br

InChI

InChI=1S/C26H19Br2NO3/c1-2-24(25(30)17-6-4-3-5-7-17)32-26(31)21-15-23(16-8-10-18(27)11-9-16)29-22-13-12-19(28)14-20(21)22/h3-15,24H,2H2,1H3