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

Systemtic Name: 3-methyl-2-[3-[[4-[(4-nitrophenyl)methoxycarbonyl-prop-2-enyl-amino]piperidin-1-yl]methyl]-4-phenyl-pyrrolidin-1-yl]butanoic acid Openeye Name: 2-[3-[[4-[allyl-[(4-nitrophenyl)methoxycarbonyl]amino]-1-piperidyl]methyl]-4-phenyl-pyrrolidin-1-yl]-3-methyl-butanoic acid CAS Name: 3-methyl-2-[3-[[4-[[(4-nitrophenyl)methoxy-oxomethyl]-prop-2-enylamino]-1-piperidinyl]methyl]-4-phenyl-1-pyrrolidinyl]butanoic acid IUPAC Name: 3-methyl-2-[3-[[4-[(4-nitrophenyl)methoxycarbonyl-prop-2-enylamino]piperidin-1-yl]methyl]-4-phenylpyrrolidin-1-yl]butanoic acid Traditional Name: 2-[3-[[4-[allyl-(4-nitrobenzyl)oxycarbonyl-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)N(CC=C)C(=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)N(CC=C)C(=O)OCC4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C32H42N4O6/c1-4-16-35(32(39)42-22-24-10-12-28(13-11-24)36(40)41)27-14-17-33(18-15-27)19-26-20-34(30(23(2)3)31(37)38)21-29(26)25-8-6-5-7-9-25/h4-13,23,26-27,29-30H,1,14-22H2,2-3H3,(H,37,38)