N-[(E,2S,3R)-3-(oxan-2-yloxy)-1-oxidanyl-octadec-4-en-2-yl]octanamide

Systemtic Name: N-[(E,2S,3R)-3-(oxan-2-yloxy)-1-oxidanyl-octadec-4-en-2-yl]octanamide Openeye Name: N-[(E,1S,2R)-1-(hydroxymethyl)-2-tetrahydropyran-2-yloxy-heptadec-3-enyl]octanamide CAS Name: N-[(E,2S,3R)-1-hydroxy-3-(2-oxanyloxy)octadec-4-en-2-yl]octanamide IUPAC Name: N-[(E,2S,3R)-1-hydroxy-3-(oxan-2-yloxy)octadec-4-en-2-yl]octanamide Traditional Name: N-[(E,1S,2R)-1-methylol-2-tetrahydropyran-2-yloxy-heptadec-3-enyl]caprylamide Formula: C31H59NO4 MolecularWeight: 509.80446

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCC=CC(C(CO)NC(=O)CCCCCCC)OC1CCCCO1

Isomeric SMILES

CCCCCCCCCCCCC/C=C/[C@H]([C@H](CO)NC(=O)CCCCCCC)OC1CCCCO1

InChI

InChI=1S/C31H59NO4/c1-3-5-7-9-10-11-12-13-14-15-16-18-19-23-29(36-31-25-21-22-26-35-31)28(27-33)32-30(34)24-20-17-8-6-4-2/h19,23,28-29,31,33H,3-18,20-22,24-27H2,1-2H3,(H,32,34)/b23-19+/t28-,29+,31?/m0/s1