(E)-[2-(azepan-1-ylcarbonyloxymethyl)-2-octadecyl-icosylidene]carbamic acid

Systemtic Name: (E)-[2-(azepan-1-ylcarbonyloxymethyl)-2-octadecyl-icosylidene]carbamic acid Openeye Name: (E)-[2-(azepane-1-carbonyloxymethyl)-2-octadecyl-icosylidene]carbamic acid CAS Name: (E)-[2-[[1-azepanyl(oxo)methoxy]methyl]-2-octadecyleicosylidene]carbamic acid IUPAC Name: (E)-[2-(azepane-1-carbonyloxymethyl)-2-octadecylicosylidene]carbamic acid Traditional Name: (E)-[2-(azepane-1-carbonyloxymethyl)-2-stearyl-eicosylidene]carbamic acid Formula: C47H90N2O4 MolecularWeight: 747.2285

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCC(CCCCCCCCCCCCCCCCCC)(COC(=O)N1CCCCCC1)C=NC(=O)O

Isomeric SMILES

CCCCCCCCCCCCCCCCCCC(CCCCCCCCCCCCCCCCCC)(COC(=O)N1CCCCCC1)/C=N/C(=O)O

InChI

InChI=1S/C47H90N2O4/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-35-39-47(43-48-45(50)51,44-53-46(52)49-41-37-33-34-38-42-49)40-36-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h43H,3-42,44H2,1-2H3,(H,50,51)/b48-43+