tert-butyl 4-[12-[(4-nitrophenyl)methoxycarbonylamino]dodecyl]piperazine-1-carboxylate

Systemtic Name: tert-butyl 4-[12-[(4-nitrophenyl)methoxycarbonylamino]dodecyl]piperazine-1-carboxylate Openeye Name: tert-butyl 4-[12-[(4-nitrophenyl)methoxycarbonylamino]dodecyl]piperazine-1-carboxylate CAS Name: 4-[12-[[(4-nitrophenyl)methoxy-oxomethyl]amino]dodecyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[12-[(4-nitrophenyl)methoxycarbonylamino]dodecyl]piperazine-1-carboxylate Traditional Name: 4-[12-[(4-nitrobenzyl)oxycarbonylamino]dodecyl]piperazine-1-carboxylic acid tert-butyl ester Formula: C29H48N4O6 MolecularWeight: 548.71462

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCN(CC1)CCCCCCCCCCCCNC(=O)OCC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)OC(=O)N1CCN(CC1)CCCCCCCCCCCCNC(=O)OCC2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C29H48N4O6/c1-29(2,3)39-28(35)32-22-20-31(21-23-32)19-13-11-9-7-5-4-6-8-10-12-18-30-27(34)38-24-25-14-16-26(17-15-25)33(36)37/h14-17H,4-13,18-24H2,1-3H3,(H,30,34)