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

Systemtic Name: 3-methyl-2-[3-[[4-[[(E)-4-[(4-nitrophenyl)methoxy]-4-oxidanylidene-but-2-enyl]amino]piperidin-1-yl]methyl]-4-phenyl-pyrrolidin-1-yl]butanoic acid Openeye Name: 3-methyl-2-[3-[[4-[[(E)-4-[(4-nitrophenyl)methoxy]-4-oxo-but-2-enyl]amino]-1-piperidyl]methyl]-4-phenyl-pyrrolidin-1-yl]butanoic acid CAS Name: 3-methyl-2-[3-[[4-[[(E)-4-[(4-nitrophenyl)methoxy]-4-oxobut-2-enyl]amino]-1-piperidinyl]methyl]-4-phenyl-1-pyrrolidinyl]butanoic acid IUPAC Name: 3-methyl-2-[3-[[4-[[(E)-4-[(4-nitrophenyl)methoxy]-4-oxobut-2-enyl]amino]piperidin-1-yl]methyl]-4-phenylpyrrolidin-1-yl]butanoic acid Traditional Name: 2-[3-[[4-[[(E)-4-keto-4-(4-nitrobenzyl)oxy-but-2-enyl]amino]piperidino]methyl]-4-phenyl-pyrrolidino]-3-methyl-butyric acid Formula: C32H42N4O6 MolecularWeight: 578.69908

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)O)N1CC(C(C1)C2=CC=CC=C2)CN3CCC(CC3)NCC=CC(=O)OCC4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CC(C)C(C(=O)O)N1CC(C(C1)C2=CC=CC=C2)CN3CCC(CC3)NC/C=C/C(=O)OCC4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C32H42N4O6/c1-23(2)31(32(38)39)35-20-26(29(21-35)25-7-4-3-5-8-25)19-34-17-14-27(15-18-34)33-16-6-9-30(37)42-22-24-10-12-28(13-11-24)36(40)41/h3-13,23,26-27,29,31,33H,14-22H2,1-2H3,(H,38,39)/b9-6+