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

Systemtic Name: 2-[3-[[4-[(4-cyanophenyl)methylcarbamoyl-ethyl-amino]piperidin-1-yl]methyl]-4-phenyl-pyrrolidin-1-yl]-2-cyclohexyl-ethanoic acid Openeye Name: 2-[3-[[4-[(4-cyanophenyl)methylcarbamoyl-ethyl-amino]-1-piperidyl]methyl]-4-phenyl-pyrrolidin-1-yl]-2-cyclohexyl-acetic acid CAS Name: 2-[3-[[4-[[[(4-cyanophenyl)methylamino]-oxomethyl]-ethylamino]-1-piperidinyl]methyl]-4-phenyl-1-pyrrolidinyl]-2-cyclohexylacetic acid IUPAC Name: 2-[3-[[4-[(4-cyanophenyl)methylcarbamoyl-ethylamino]piperidin-1-yl]methyl]-4-phenylpyrrolidin-1-yl]-2-cyclohexylacetic acid Traditional Name: 2-[3-[[4-[(4-cyanobenzyl)carbamoyl-ethyl-amino]piperidino]methyl]-4-phenyl-pyrrolidino]-2-cyclohexyl-acetic acid Formula: C35H47N5O3 MolecularWeight: 585.77938

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C35H47N5O3/c1-2-40(35(43)37-22-27-15-13-26(21-36)14-16-27)31-17-19-38(20-18-31)23-30-24-39(25-32(30)28-9-5-3-6-10-28)33(34(41)42)29-11-7-4-8-12-29/h3,5-6,9-10,13-16,29-33H,2,4,7-8,11-12,17-20,22-25H2,1H3,(H,37,43)(H,41,42)