2-cyclohexyl-2-[3-[[4-[[(E)-4-[(4-nitrophenyl)methoxy]-4-oxidanylidene-but-2-enyl]amino]piperidin-1-yl]methyl]-4-phenyl-pyrrolidin-1-yl]ethanoic acid

Systemtic Name: 2-cyclohexyl-2-[3-[[4-[[(E)-4-[(4-nitrophenyl)methoxy]-4-oxidanylidene-but-2-enyl]amino]piperidin-1-yl]methyl]-4-phenyl-pyrrolidin-1-yl]ethanoic acid Openeye Name: 2-cyclohexyl-2-[3-[[4-[[(E)-4-[(4-nitrophenyl)methoxy]-4-oxo-but-2-enyl]amino]-1-piperidyl]methyl]-4-phenyl-pyrrolidin-1-yl]acetic acid CAS Name: 2-cyclohexyl-2-[3-[[4-[[(E)-4-[(4-nitrophenyl)methoxy]-4-oxobut-2-enyl]amino]-1-piperidinyl]methyl]-4-phenyl-1-pyrrolidinyl]acetic acid IUPAC Name: 2-cyclohexyl-2-[3-[[4-[[(E)-4-[(4-nitrophenyl)methoxy]-4-oxobut-2-enyl]amino]piperidin-1-yl]methyl]-4-phenylpyrrolidin-1-yl]acetic acid Traditional Name: 2-cyclohexyl-2-[3-[[4-[[(E)-4-keto-4-(4-nitrobenzyl)oxy-but-2-enyl]amino]piperidino]methyl]-4-phenyl-pyrrolidino]acetic acid Formula: C35H46N4O6 MolecularWeight: 618.76294

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C(C(=O)O)N2CC(C(C2)C3=CC=CC=C3)CN4CCC(CC4)NCC=CC(=O)OCC5=CC=C(C=C5)[N+](=O)[O-]

Isomeric SMILES

C1CCC(CC1)C(C(=O)O)N2CC(C(C2)C3=CC=CC=C3)CN4CCC(CC4)NC/C=C/C(=O)OCC5=CC=C(C=C5)[N+](=O)[O-]

InChI

InChI=1S/C35H46N4O6/c40-33(45-25-26-13-15-31(16-14-26)39(43)44)12-7-19-36-30-17-20-37(21-18-30)22-29-23-38(24-32(29)27-8-3-1-4-9-27)34(35(41)42)28-10-5-2-6-11-28/h1,3-4,7-9,12-16,28-30,32,34,36H,2,5-6,10-11,17-25H2,(H,41,42)/b12-7+