(phenylmethyl) (2S)-1-[2-(4-pyridin-2-ylpiperazin-1-yl)carbonylcyclohexyl]carbonylpyrrolidine-2-carboxylate

Systemtic Name: (phenylmethyl) (2S)-1-[2-(4-pyridin-2-ylpiperazin-1-yl)carbonylcyclohexyl]carbonylpyrrolidine-2-carboxylate Openeye Name: benzyl (2S)-1-[2-[4-(2-pyridyl)piperazine-1-carbonyl]cyclohexanecarbonyl]pyrrolidine-2-carboxylate CAS Name: (2S)-1-[oxo-[2-[oxo-[4-(2-pyridinyl)-1-piperazinyl]methyl]cyclohexyl]methyl]-2-pyrrolidinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl (2S)-1-[2-(4-pyridin-2-ylpiperazine-1-carbonyl)cyclohexanecarbonyl]pyrrolidine-2-carboxylate Traditional Name: (2S)-1-[2-[4-(2-pyridyl)piperazine-1-carbonyl]cyclohexanecarbonyl]pyrrolidine-2-carboxylic acid benzyl ester Formula: C29H36N4O4 MolecularWeight: 504.62054

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C(C1)C(=O)N2CCN(CC2)C3=CC=CC=N3)C(=O)N4CCCC4C(=O)OCC5=CC=CC=C5

Isomeric SMILES

C1CCC(C(C1)C(=O)N2CCN(CC2)C3=CC=CC=N3)C(=O)N4CCC[C@H]4C(=O)OCC5=CC=CC=C5

InChI

InChI=1S/C29H36N4O4/c34-27(32-19-17-31(18-20-32)26-14-6-7-15-30-26)23-11-4-5-12-24(23)28(35)33-16-8-13-25(33)29(36)37-21-22-9-2-1-3-10-22/h1-3,6-7,9-10,14-15,23-25H,4-5,8,11-13,16-21H2/t23?,24?,25-/m0/s1