[(2S)-2-[bis(phenylmethyl)amino]-3-phenyl-propyl] 4-pyridin-2-ylpiperazine-1-carboxylate

Systemtic Name: [(2S)-2-[bis(phenylmethyl)amino]-3-phenyl-propyl] 4-pyridin-2-ylpiperazine-1-carboxylate Openeye Name: [(2S)-2-(dibenzylamino)-3-phenyl-propyl] 4-(2-pyridyl)piperazine-1-carboxylate CAS Name: 4-(2-pyridinyl)-1-piperazinecarboxylic acid [(2S)-2-[bis(phenylmethyl)amino]-3-phenylpropyl] ester IUPAC Name: [(2S)-2-(dibenzylamino)-3-phenylpropyl] 4-pyridin-2-ylpiperazine-1-carboxylate Traditional Name: 4-(2-pyridyl)piperazine-1-carboxylic acid [(2S)-2-(dibenzylamino)-3-phenyl-propyl] ester Formula: C33H36N4O2 MolecularWeight: 520.66454

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=N2)C(=O)OCC(CC3=CC=CC=C3)N(CC4=CC=CC=C4)CC5=CC=CC=C5

Isomeric SMILES

C1CN(CCN1C2=CC=CC=N2)C(=O)OC[C@H](CC3=CC=CC=C3)N(CC4=CC=CC=C4)CC5=CC=CC=C5

InChI

InChI=1S/C33H36N4O2/c38-33(36-22-20-35(21-23-36)32-18-10-11-19-34-32)39-27-31(24-28-12-4-1-5-13-28)37(25-29-14-6-2-7-15-29)26-30-16-8-3-9-17-30/h1-19,31H,20-27H2/t31-/m0/s1