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

Systemtic Name: 2-cyclohexyl-2-[3-[[4-[(4-nitrophenyl)methoxycarbonyl-prop-2-enyl-amino]piperidin-1-yl]methyl]-4-phenyl-pyrrolidin-1-yl]ethanoic acid Openeye Name: 2-[3-[[4-[allyl-[(4-nitrophenyl)methoxycarbonyl]amino]-1-piperidyl]methyl]-4-phenyl-pyrrolidin-1-yl]-2-cyclohexyl-acetic acid CAS Name: 2-cyclohexyl-2-[3-[[4-[[(4-nitrophenyl)methoxy-oxomethyl]-prop-2-enylamino]-1-piperidinyl]methyl]-4-phenyl-1-pyrrolidinyl]acetic acid IUPAC Name: 2-cyclohexyl-2-[3-[[4-[(4-nitrophenyl)methoxycarbonyl-prop-2-enylamino]piperidin-1-yl]methyl]-4-phenylpyrrolidin-1-yl]acetic acid Traditional Name: 2-[3-[[4-[allyl-(4-nitrobenzyl)oxycarbonyl-amino]piperidino]methyl]-4-phenyl-pyrrolidino]-2-cyclohexyl-acetic acid Formula: C35H46N4O6 MolecularWeight: 618.76294

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C=CCN(C1CCN(CC1)CC2CN(CC2C3=CC=CC=C3)C(C4CCCCC4)C(=O)O)C(=O)OCC5=CC=C(C=C5)[N+](=O)[O-]

Isomeric SMILES

C=CCN(C1CCN(CC1)CC2CN(CC2C3=CC=CC=C3)C(C4CCCCC4)C(=O)O)C(=O)OCC5=CC=C(C=C5)[N+](=O)[O-]

InChI

InChI=1S/C35H46N4O6/c1-2-19-38(35(42)45-25-26-13-15-31(16-14-26)39(43)44)30-17-20-36(21-18-30)22-29-23-37(24-32(29)27-9-5-3-6-10-27)33(34(40)41)28-11-7-4-8-12-28/h2-3,5-6,9-10,13-16,28-30,32-33H,1,4,7-8,11-12,17-25H2,(H,40,41)