(3-nitrophenyl)methyl N-[20-[(4-aminophenyl)methoxycarbonylamino]-10,11-dioctyl-icosyl]carbamate

Systemtic Name: (3-nitrophenyl)methyl N-[20-[(4-aminophenyl)methoxycarbonylamino]-10,11-dioctyl-icosyl]carbamate Openeye Name: (3-nitrophenyl)methyl N-[20-[(4-aminophenyl)methoxycarbonylamino]-10,11-dioctyl-icosyl]carbamate CAS Name: N-[20-[[(4-aminophenyl)methoxy-oxomethyl]amino]-10,11-dioctyleicosyl]carbamic acid (3-nitrophenyl)methyl ester IUPAC Name: (3-nitrophenyl)methyl N-[20-[(4-aminophenyl)methoxycarbonylamino]-10,11-dioctylicosyl]carbamate Traditional Name: N-[20-[(4-aminobenzyl)oxycarbonylamino]-10,11-dioctyl-eicosyl]carbamic acid (3-nitrobenzyl) ester Formula: C52H88N4O6 MolecularWeight: 865.27832

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC(CCCCCCCCCNC(=O)OCC1=CC=C(C=C1)N)C(CCCCCCCC)CCCCCCCCCNC(=O)OCC2=CC(=CC=C2)[N+](=O)[O-]

Isomeric SMILES

CCCCCCCCC(CCCCCCCCCNC(=O)OCC1=CC=C(C=C1)N)C(CCCCCCCC)CCCCCCCCCNC(=O)OCC2=CC(=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C52H88N4O6/c1-3-5-7-9-17-23-31-47(33-25-19-13-11-15-21-27-40-54-51(57)61-43-45-36-38-49(53)39-37-45)48(32-24-18-10-8-6-4-2)34-26-20-14-12-16-22-28-41-55-52(58)62-44-46-30-29-35-50(42-46)56(59)60/h29-30,35-39,42,47-48H,3-28,31-34,40-41,43-44,53H2,1-2H3,(H,54,57)(H,55,58)