N-[(3-methoxy-4-oxidanyl-phenyl)methyl]-8-[(2S,3R)-3-octyloxiran-2-yl]octanamide

Systemtic Name: N-[(3-methoxy-4-oxidanyl-phenyl)methyl]-8-[(2S,3R)-3-octyloxiran-2-yl]octanamide Openeye Name: N-[(4-hydroxy-3-methoxy-phenyl)methyl]-8-[(2S,3R)-3-octyloxiran-2-yl]octanamide CAS Name: N-[(4-hydroxy-3-methoxyphenyl)methyl]-8-[(2S,3R)-3-octyl-2-oxiranyl]octanamide IUPAC Name: N-[(4-hydroxy-3-methoxyphenyl)methyl]-8-[(2S,3R)-3-octyloxiran-2-yl]octanamide Traditional Name: 8-[(2S,3R)-3-octyloxiran-2-yl]-N-vanillyl-caprylamide Formula: C26H43NO4 MolecularWeight: 433.62392

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1C(O1)CCCCCCCC(=O)NCC2=CC(=C(C=C2)O)OC

Isomeric SMILES

CCCCCCCC[C@@H]1[C@@H](O1)CCCCCCCC(=O)NCC2=CC(=C(C=C2)O)OC

InChI

InChI=1S/C26H43NO4/c1-3-4-5-6-8-11-14-23-24(31-23)15-12-9-7-10-13-16-26(29)27-20-21-17-18-22(28)25(19-21)30-2/h17-19,23-24,28H,3-16,20H2,1-2H3,(H,27,29)/t23-,24+/m1/s1