tert-butyl 3-methyl-5-[4-[(4-nitrophenyl)methoxycarbonyl-prop-2-enyl-amino]piperidin-1-yl]-3-phenyl-pentanoate

Systemtic Name: tert-butyl 3-methyl-5-[4-[(4-nitrophenyl)methoxycarbonyl-prop-2-enyl-amino]piperidin-1-yl]-3-phenyl-pentanoate Openeye Name: tert-butyl 5-[4-[allyl-[(4-nitrophenyl)methoxycarbonyl]amino]-1-piperidyl]-3-methyl-3-phenyl-pentanoate CAS Name: 3-methyl-5-[4-[[(4-nitrophenyl)methoxy-oxomethyl]-prop-2-enylamino]-1-piperidinyl]-3-phenylpentanoic acid tert-butyl ester IUPAC Name: tert-butyl 3-methyl-5-[4-[(4-nitrophenyl)methoxycarbonyl-prop-2-enylamino]piperidin-1-yl]-3-phenylpentanoate Traditional Name: 5-[4-[allyl-(4-nitrobenzyl)oxycarbonyl-amino]piperidino]-3-methyl-3-phenyl-valeric acid tert-butyl ester Formula: C32H43N3O6 MolecularWeight: 565.70032

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C32H43N3O6/c1-6-19-34(30(37)40-24-25-12-14-28(15-13-25)35(38)39)27-16-20-33(21-17-27)22-18-32(5,26-10-8-7-9-11-26)23-29(36)41-31(2,3)4/h6-15,27H,1,16-24H2,2-5H3