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

Systemtic Name: tert-butyl 4-[12-[(4-nitrophenyl)methoxycarbonylamino]dodecanoyl]piperazine-1-carboxylate Openeye Name: tert-butyl 4-[12-[(4-nitrophenyl)methoxycarbonylamino]dodecanoyl]piperazine-1-carboxylate CAS Name: 4-[12-[[(4-nitrophenyl)methoxy-oxomethyl]amino]-1-oxododecyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[12-[(4-nitrophenyl)methoxycarbonylamino]dodecanoyl]piperazine-1-carboxylate Traditional Name: 4-[12-[(4-nitrobenzyl)oxycarbonylamino]dodecanoyl]piperazine-1-carboxylic acid tert-butyl ester Formula: C29H46N4O7 MolecularWeight: 562.69814

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H46N4O7/c1-29(2,3)40-28(36)32-21-19-31(20-22-32)26(34)13-11-9-7-5-4-6-8-10-12-18-30-27(35)39-23-24-14-16-25(17-15-24)33(37)38/h14-17H,4-13,18-23H2,1-3H3,(H,30,35)