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

Systemtic Name: N-[(E)-1,3-bis(oxidanyl)octadec-4-en-2-yl]-4-oxidanyl-pentanamide Openeye Name: 4-hydroxy-N-[(E)-2-hydroxy-1-(hydroxymethyl)heptadec-3-enyl]pentanamide CAS Name: N-[(E)-1,3-dihydroxyoctadec-4-en-2-yl]-4-hydroxypentanamide IUPAC Name: N-[(E)-1,3-dihydroxyoctadec-4-en-2-yl]-4-hydroxypentanamide Traditional Name: 4-hydroxy-N-[(E)-2-hydroxy-1-methylol-heptadec-3-enyl]valeramide Formula: C23H45NO4 MolecularWeight: 399.6077

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCC=CC(C(CO)NC(=O)CCC(C)O)O

Isomeric SMILES

CCCCCCCCCCCCC/C=C/C(C(CO)NC(=O)CCC(C)O)O

InChI

InChI=1S/C23H45NO4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-22(27)21(19-25)24-23(28)18-17-20(2)26/h15-16,20-22,25-27H,3-14,17-19H2,1-2H3,(H,24,28)/b16-15+