[4-(4-cyanophenyl)phenyl] 1-(4-bromophenyl)carbonylpiperidine-4-carboxylate

Systemtic Name: [4-(4-cyanophenyl)phenyl] 1-(4-bromophenyl)carbonylpiperidine-4-carboxylate Openeye Name: [4-(4-cyanophenyl)phenyl] 1-(4-bromobenzoyl)piperidine-4-carboxylate CAS Name: 1-[(4-bromophenyl)-oxomethyl]-4-piperidinecarboxylic acid [4-(4-cyanophenyl)phenyl] ester IUPAC Name: [4-(4-cyanophenyl)phenyl] 1-(4-bromobenzoyl)piperidine-4-carboxylate Traditional Name: 1-(4-bromobenzoyl)isonipecotic acid [4-(4-cyanophenyl)phenyl] ester Formula: C26H21BrN2O3 MolecularWeight: 489.36054

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)OC2=CC=C(C=C2)C3=CC=C(C=C3)C#N)C(=O)C4=CC=C(C=C4)Br

Isomeric SMILES

C1CN(CCC1C(=O)OC2=CC=C(C=C2)C3=CC=C(C=C3)C#N)C(=O)C4=CC=C(C=C4)Br

InChI

InChI=1S/C26H21BrN2O3/c27-23-9-5-21(6-10-23)25(30)29-15-13-22(14-16-29)26(31)32-24-11-7-20(8-12-24)19-3-1-18(17-28)2-4-19/h1-12,22H,13-16H2