N-[2-[4-cyanobutan-2-yl-[2-(docosanoylamino)ethyl]amino]ethyl]docosanamide

Systemtic Name: N-[2-[4-cyanobutan-2-yl-[2-(docosanoylamino)ethyl]amino]ethyl]docosanamide Openeye Name: N-[2-[(3-cyano-1-methyl-propyl)-[2-(docosanoylamino)ethyl]amino]ethyl]docosanamide CAS Name: N-[2-[4-cyanobutan-2-yl-[2-(1-oxodocosylamino)ethyl]amino]ethyl]docosanamide IUPAC Name: N-[2-[4-cyanobutan-2-yl-[2-(docosanoylamino)ethyl]amino]ethyl]docosanamide Traditional Name: N-[2-[(3-cyano-1-methyl-propyl)-[2-(docosanoylamino)ethyl]amino]ethyl]behenamide Formula: C53H104N4O2 MolecularWeight: 829.41846

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCCCCC(=O)NCCN(CCNC(=O)CCCCCCCCCCCCCCCCCCCCC)C(C)CCC#N

Isomeric SMILES

CCCCCCCCCCCCCCCCCCCCCC(=O)NCCN(CCNC(=O)CCCCCCCCCCCCCCCCCCCCC)C(C)CCC#N

InChI

InChI=1S/C53H104N4O2/c1-4-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-38-40-44-52(58)55-47-49-57(51(3)43-42-46-54)50-48-56-53(59)45-41-39-37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-5-2/h51H,4-45,47-50H2,1-3H3,(H,55,58)(H,56,59)