N-[(E,2S,3R)-1-oxidanyl-3-[(6-pyridin-2-ylpyridin-2-yl)methoxy]octadec-4-en-2-yl]hexanamide

Systemtic Name: N-[(E,2S,3R)-1-oxidanyl-3-[(6-pyridin-2-ylpyridin-2-yl)methoxy]octadec-4-en-2-yl]hexanamide Openeye Name: N-[(E,1S,2R)-1-(hydroxymethyl)-2-[[6-(2-pyridyl)-2-pyridyl]methoxy]heptadec-3-enyl]hexanamide CAS Name: N-[(E,2S,3R)-1-hydroxy-3-[[6-(2-pyridinyl)-2-pyridinyl]methoxy]octadec-4-en-2-yl]hexanamide IUPAC Name: N-[(E,2S,3R)-1-hydroxy-3-[(6-pyridin-2-ylpyridin-2-yl)methoxy]octadec-4-en-2-yl]hexanamide Traditional Name: N-[(E,1S,2R)-1-methylol-2-[[6-(2-pyridyl)-2-pyridyl]methoxy]heptadec-3-enyl]hexanamide Formula: C35H55N3O3 MolecularWeight: 565.8295

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCC=CC(C(CO)NC(=O)CCCCC)OCC1=CC=CC(=N1)C2=CC=CC=N2

Isomeric SMILES

CCCCCCCCCCCCC/C=C/[C@H]([C@H](CO)NC(=O)CCCCC)OCC1=CC=CC(=N1)C2=CC=CC=N2

InChI

InChI=1S/C35H55N3O3/c1-3-5-7-8-9-10-11-12-13-14-15-16-18-25-34(33(28-39)38-35(40)26-17-6-4-2)41-29-30-22-21-24-32(37-30)31-23-19-20-27-36-31/h18-25,27,33-34,39H,3-17,26,28-29H2,1-2H3,(H,38,40)/b25-18+/t33-,34+/m0/s1