N-[(E)-1,3-bis(oxidanyl)octadec-4-en-2-yl]-2-cyano-ethanamide

Systemtic Name: N-[(E)-1,3-bis(oxidanyl)octadec-4-en-2-yl]-2-cyano-ethanamide Openeye Name: 2-cyano-N-[(E)-2-hydroxy-1-(hydroxymethyl)heptadec-3-enyl]acetamide CAS Name: 2-cyano-N-[(E)-1,3-dihydroxyoctadec-4-en-2-yl]acetamide IUPAC Name: 2-cyano-N-[(E)-1,3-dihydroxyoctadec-4-en-2-yl]acetamide Traditional Name: 2-cyano-N-[(E)-2-hydroxy-1-methylol-heptadec-3-enyl]acetamide Formula: C21H38N2O3 MolecularWeight: 366.53802

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCC=CC(C(CO)NC(=O)CC#N)O

Isomeric SMILES

CCCCCCCCCCCCC/C=C/C(C(CO)NC(=O)CC#N)O

InChI

InChI=1S/C21H38N2O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-20(25)19(18-24)23-21(26)16-17-22/h14-15,19-20,24-25H,2-13,16,18H2,1H3,(H,23,26)/b15-14+