(2-oxidanylidenecyclohexyl) 2-(4-bromophenyl)quinoline-4-carboxylate

Systemtic Name: (2-oxidanylidenecyclohexyl) 2-(4-bromophenyl)quinoline-4-carboxylate Openeye Name: (2-oxocyclohexyl) 2-(4-bromophenyl)quinoline-4-carboxylate CAS Name: 2-(4-bromophenyl)-4-quinolinecarboxylic acid (2-oxocyclohexyl) ester IUPAC Name: (2-oxocyclohexyl) 2-(4-bromophenyl)quinoline-4-carboxylate Traditional Name: 2-(4-bromophenyl)cinchoninic acid (2-ketocyclohexyl) ester Formula: C22H18BrNO3 MolecularWeight: 424.28722

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=O)C(C1)OC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=C(C=C4)Br

Isomeric SMILES

C1CCC(=O)C(C1)OC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=C(C=C4)Br

InChI

InChI=1S/C22H18BrNO3/c23-15-11-9-14(10-12-15)19-13-17(16-5-1-2-6-18(16)24-19)22(26)27-21-8-4-3-7-20(21)25/h1-2,5-6,9-13,21H,3-4,7-8H2