ethyl (NE)-N-[[3,5-di(docosoxy)phenyl]methoxycarbonylimino]carbamate

Systemtic Name: ethyl (NE)-N-[[3,5-di(docosoxy)phenyl]methoxycarbonylimino]carbamate Openeye Name: ethyl (NE)-N-[[3,5-di(docosoxy)phenyl]methoxycarbonylimino]carbamate CAS Name: (NE)-N-[[3,5-di(docosoxy)phenyl]methoxy-oxomethyl]iminocarbamic acid ethyl ester IUPAC Name: ethyl (NE)-N-[[3,5-di(docosoxy)phenyl]methoxycarbonylimino]carbamate Traditional Name: (NE)-N-carbethoxyiminocarbamic acid (3,5-dibehenyloxybenzyl) ester Formula: C55H100N2O6 MolecularWeight: 885.3923

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCCCCCOC1=CC(=CC(=C1)COC(=O)N=NC(=O)OCC)OCCCCCCCCCCCCCCCCCCCCCC

Isomeric SMILES

CCCCCCCCCCCCCCCCCCCCCCOC1=CC(=CC(=C1)COC(=O)/N=N/C(=O)OCC)OCCCCCCCCCCCCCCCCCCCCCC

InChI

InChI=1S/C55H100N2O6/c1-4-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-43-45-61-52-47-51(50-63-55(59)57-56-54(58)60-6-3)48-53(49-52)62-46-44-42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-5-2/h47-49H,4-46,50H2,1-3H3/b57-56+