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

Systemtic Name: 2-cyclohexyl-2-[3-phenyl-4-[[4-[(phenylmethyl)carbamoyl-prop-2-enyl-amino]piperidin-1-yl]methyl]pyrrolidin-1-yl]ethanoic acid Openeye Name: 2-[3-[[4-[allyl(benzylcarbamoyl)amino]-1-piperidyl]methyl]-4-phenyl-pyrrolidin-1-yl]-2-cyclohexyl-acetic acid CAS Name: 2-cyclohexyl-2-[3-[[4-[[oxo-[(phenylmethyl)amino]methyl]-prop-2-enylamino]-1-piperidinyl]methyl]-4-phenyl-1-pyrrolidinyl]acetic acid IUPAC Name: 2-[3-[[4-[benzylcarbamoyl(prop-2-enyl)amino]piperidin-1-yl]methyl]-4-phenylpyrrolidin-1-yl]-2-cyclohexylacetic acid Traditional Name: 2-[3-[[4-[allyl(benzylcarbamoyl)amino]piperidino]methyl]-4-phenyl-pyrrolidino]-2-cyclohexyl-acetic acid Formula: C35H48N4O3 MolecularWeight: 572.78062

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C35H48N4O3/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/h2-4,6-9,12-15,29-33H,1,5,10-11,16-26H2,(H,36,42)(H,40,41)