2-[3-[[4-[(4-cyanophenyl)methylcarbamoyl-methyl-amino]piperidin-1-yl]methyl]-4-phenyl-pyrrolidin-1-yl]-2-cyclohexyl-ethanoic acid

Systemtic Name: 2-[3-[[4-[(4-cyanophenyl)methylcarbamoyl-methyl-amino]piperidin-1-yl]methyl]-4-phenyl-pyrrolidin-1-yl]-2-cyclohexyl-ethanoic acid Openeye Name: 2-[3-[[4-[(4-cyanophenyl)methylcarbamoyl-methyl-amino]-1-piperidyl]methyl]-4-phenyl-pyrrolidin-1-yl]-2-cyclohexyl-acetic acid CAS Name: 2-[3-[[4-[[[(4-cyanophenyl)methylamino]-oxomethyl]-methylamino]-1-piperidinyl]methyl]-4-phenyl-1-pyrrolidinyl]-2-cyclohexylacetic acid IUPAC Name: 2-[3-[[4-[(4-cyanophenyl)methylcarbamoyl-methylamino]piperidin-1-yl]methyl]-4-phenylpyrrolidin-1-yl]-2-cyclohexylacetic acid Traditional Name: 2-[3-[[4-[(4-cyanobenzyl)carbamoyl-methyl-amino]piperidino]methyl]-4-phenyl-pyrrolidino]-2-cyclohexyl-acetic acid Formula: C34H45N5O3 MolecularWeight: 571.7528

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1CCN(CC1)CC2CN(CC2C3=CC=CC=C3)C(C4CCCCC4)C(=O)O)C(=O)NCC5=CC=C(C=C5)C#N

Isomeric SMILES

CN(C1CCN(CC1)CC2CN(CC2C3=CC=CC=C3)C(C4CCCCC4)C(=O)O)C(=O)NCC5=CC=C(C=C5)C#N

InChI

InChI=1S/C34H45N5O3/c1-37(34(42)36-21-26-14-12-25(20-35)13-15-26)30-16-18-38(19-17-30)22-29-23-39(24-31(29)27-8-4-2-5-9-27)32(33(40)41)28-10-6-3-7-11-28/h2,4-5,8-9,12-15,28-32H,3,6-7,10-11,16-19,21-24H2,1H3,(H,36,42)(H,40,41)