(2-oxidanylidene-1,2-diphenyl-ethyl) 2-(4-bromophenyl)quinoline-4-carboxylate

Systemtic Name: (2-oxidanylidene-1,2-diphenyl-ethyl) 2-(4-bromophenyl)quinoline-4-carboxylate Openeye Name: (2-oxo-1,2-diphenyl-ethyl) 2-(4-bromophenyl)quinoline-4-carboxylate CAS Name: 2-(4-bromophenyl)-4-quinolinecarboxylic acid (2-oxo-1,2-diphenylethyl) ester IUPAC Name: (2-oxo-1,2-diphenylethyl) 2-(4-bromophenyl)quinoline-4-carboxylate Traditional Name: 2-(4-bromophenyl)cinchoninic acid desyl ester Formula: C30H20BrNO3 MolecularWeight: 522.3887

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(C(=O)C2=CC=CC=C2)OC(=O)C3=CC(=NC4=CC=CC=C43)C5=CC=C(C=C5)Br

Isomeric SMILES

C1=CC=C(C=C1)C(C(=O)C2=CC=CC=C2)OC(=O)C3=CC(=NC4=CC=CC=C43)C5=CC=C(C=C5)Br

InChI

InChI=1S/C30H20BrNO3/c31-23-17-15-20(16-18-23)27-19-25(24-13-7-8-14-26(24)32-27)30(34)35-29(22-11-5-2-6-12-22)28(33)21-9-3-1-4-10-21/h1-19,29H