tert-butyl 2-methyl-4-[4-[(4-nitrophenyl)methoxycarbonyl-prop-2-enyl-amino]piperidin-1-yl]-2-phenyl-butanoate

Systemtic Name: tert-butyl 2-methyl-4-[4-[(4-nitrophenyl)methoxycarbonyl-prop-2-enyl-amino]piperidin-1-yl]-2-phenyl-butanoate Openeye Name: tert-butyl 4-[4-[allyl-[(4-nitrophenyl)methoxycarbonyl]amino]-1-piperidyl]-2-methyl-2-phenyl-butanoate CAS Name: 2-methyl-4-[4-[[(4-nitrophenyl)methoxy-oxomethyl]-prop-2-enylamino]-1-piperidinyl]-2-phenylbutanoic acid tert-butyl ester IUPAC Name: tert-butyl 2-methyl-4-[4-[(4-nitrophenyl)methoxycarbonyl-prop-2-enylamino]piperidin-1-yl]-2-phenylbutanoate Traditional Name: 4-[4-[allyl-(4-nitrobenzyl)oxycarbonyl-amino]piperidino]-2-methyl-2-phenyl-butyric acid tert-butyl ester Formula: C31H41N3O6 MolecularWeight: 551.67374

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C(C)(CCN1CCC(CC1)N(CC=C)C(=O)OCC2=CC=C(C=C2)[N+](=O)[O-])C3=CC=CC=C3

Isomeric SMILES

CC(C)(C)OC(=O)C(C)(CCN1CCC(CC1)N(CC=C)C(=O)OCC2=CC=C(C=C2)[N+](=O)[O-])C3=CC=CC=C3

InChI

InChI=1S/C31H41N3O6/c1-6-19-33(29(36)39-23-24-12-14-27(15-13-24)34(37)38)26-16-20-32(21-17-26)22-18-31(5,25-10-8-7-9-11-25)28(35)40-30(2,3)4/h6-15,26H,1,16-23H2,2-5H3