N-[(E,2S,3R)-1-oxidanyl-3-(phenylmethoxymethoxy)octadec-4-en-2-yl]octadecanamide

Systemtic Name: N-[(E,2S,3R)-1-oxidanyl-3-(phenylmethoxymethoxy)octadec-4-en-2-yl]octadecanamide Openeye Name: N-[(E,1S,2R)-2-(benzyloxymethoxy)-1-(hydroxymethyl)heptadec-3-enyl]octadecanamide CAS Name: N-[(E,2S,3R)-1-hydroxy-3-(phenylmethoxymethoxy)octadec-4-en-2-yl]octadecanamide IUPAC Name: N-[(E,2S,3R)-1-hydroxy-3-(phenylmethoxymethoxy)octadec-4-en-2-yl]octadecanamide Traditional Name: N-[(E,1S,2R)-2-(benzoxymethoxy)-1-methylol-heptadec-3-enyl]stearamide Formula: C44H79NO4 MolecularWeight: 686.10236

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(=O)NC(CO)C(C=CCCCCCCCCCCCCC)OCOCC1=CC=CC=C1

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO)[C@@H](/C=C/CCCCCCCCCCCCC)OCOCC1=CC=CC=C1

InChI

InChI=1S/C44H79NO4/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-33-37-44(47)45-42(38-46)43(49-40-48-39-41-34-30-29-31-35-41)36-32-27-25-23-21-19-16-14-12-10-8-6-4-2/h29-32,34-36,42-43,46H,3-28,33,37-40H2,1-2H3,(H,45,47)/b36-32+/t42-,43+/m0/s1