N-[2-[2-(2-cyanoethylamino)ethyl-octadecanoyl-amino]ethyl]octadecanamide; ethanoic acid

Systemtic Name: N-[2-[2-(2-cyanoethylamino)ethyl-octadecanoyl-amino]ethyl]octadecanamide; ethanoic acid Openeye Name: acetic acid; N-[2-[2-(2-cyanoethylamino)ethyl-octadecanoyl-amino]ethyl]octadecanamide CAS Name: acetic acid; N-[2-[2-(2-cyanoethylamino)ethyl-(1-oxooctadecyl)amino]ethyl]octadecanamide IUPAC Name: acetic acid; N-[2-[2-(2-cyanoethylamino)ethyl-octadecanoylamino]ethyl]octadecanamide Traditional Name: acetic acid; N-[2-[2-(2-cyanoethylamino)ethyl-stearoyl-amino]ethyl]stearamide Formula: C49H96N4O8 MolecularWeight: 869.30854

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(=O)NCCN(CCNCCC#N)C(=O)CCCCCCCCCCCCCCCCC.CC(=O)O.CC(=O)O.CC(=O)O

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(=O)NCCN(CCNCCC#N)C(=O)CCCCCCCCCCCCCCCCC.CC(=O)O.CC(=O)O.CC(=O)O

InChI

InChI=1S/C43H84N4O2.3C2H4O2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-34-42(48)46-39-41-47(40-38-45-37-33-36-44)43(49)35-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2;3*1-2(3)4/h45H,3-35,37-41H2,1-2H3,(H,46,48);3*1H3,(H,3,4)