2-cyclohexyl-2-[3-phenyl-4-[[4-[(phenylmethyl)carbamoyl-propyl-amino]piperidin-1-yl]methyl]pyrrolidin-1-yl]ethanoic acid

Systemtic Name: 2-cyclohexyl-2-[3-phenyl-4-[[4-[(phenylmethyl)carbamoyl-propyl-amino]piperidin-1-yl]methyl]pyrrolidin-1-yl]ethanoic acid Openeye Name: 2-[3-[[4-[benzylcarbamoyl(propyl)amino]-1-piperidyl]methyl]-4-phenyl-pyrrolidin-1-yl]-2-cyclohexyl-acetic acid CAS Name: 2-cyclohexyl-2-[3-[[4-[[oxo-[(phenylmethyl)amino]methyl]-propylamino]-1-piperidinyl]methyl]-4-phenyl-1-pyrrolidinyl]acetic acid IUPAC Name: 2-[3-[[4-[benzylcarbamoyl(propyl)amino]piperidin-1-yl]methyl]-4-phenylpyrrolidin-1-yl]-2-cyclohexylacetic acid Traditional Name: 2-[3-[[4-[benzylcarbamoyl(propyl)amino]piperidino]methyl]-4-phenyl-pyrrolidino]-2-cyclohexyl-acetic acid Formula: C35H50N4O3 MolecularWeight: 574.7965

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCN(C1CCN(CC1)CC2CN(CC2C3=CC=CC=C3)C(C4CCCCC4)C(=O)O)C(=O)NCC5=CC=CC=C5

Isomeric SMILES

CCCN(C1CCN(CC1)CC2CN(CC2C3=CC=CC=C3)C(C4CCCCC4)C(=O)O)C(=O)NCC5=CC=CC=C5

InChI

InChI=1S/C35H50N4O3/c1-2-20-39(35(42)36-23-27-12-6-3-7-13-27)31-18-21-37(22-19-31)24-30-25-38(26-32(30)28-14-8-4-9-15-28)33(34(40)41)29-16-10-5-11-17-29/h3-4,6-9,12-15,29-33H,2,5,10-11,16-26H2,1H3,(H,36,42)(H,40,41)