N-[4-(4-octylphenyl)-1-oxidanyl-2-(phenylmethoxymethyl)butan-2-yl]hexadecanamide

Systemtic Name: N-[4-(4-octylphenyl)-1-oxidanyl-2-(phenylmethoxymethyl)butan-2-yl]hexadecanamide Openeye Name: N-[1-(benzyloxymethyl)-1-(hydroxymethyl)-3-(4-octylphenyl)propyl]hexadecanamide CAS Name: N-[1-hydroxy-4-(4-octylphenyl)-2-(phenylmethoxymethyl)butan-2-yl]hexadecanamide IUPAC Name: N-[1-hydroxy-4-(4-octylphenyl)-2-(phenylmethoxymethyl)butan-2-yl]hexadecanamide Traditional Name: N-[1-(benzoxymethyl)-1-methylol-3-(4-octylphenyl)propyl]palmitamide Formula: C42H69NO3 MolecularWeight: 636.00216

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC(=O)NC(CCC1=CC=C(C=C1)CCCCCCCC)(CO)COCC2=CC=CC=C2

Isomeric SMILES

CCCCCCCCCCCCCCCC(=O)NC(CCC1=CC=C(C=C1)CCCCCCCC)(CO)COCC2=CC=CC=C2

InChI

InChI=1S/C42H69NO3/c1-3-5-7-9-11-12-13-14-15-16-17-19-24-28-41(45)43-42(36-44,37-46-35-40-26-22-20-23-27-40)34-33-39-31-29-38(30-32-39)25-21-18-10-8-6-4-2/h20,22-23,26-27,29-32,44H,3-19,21,24-25,28,33-37H2,1-2H3,(H,43,45)