(6E,9E,12E)-N-[(3-methoxy-4-oxidanyl-phenyl)methyl]octadeca-6,9,12-trienamide

Systemtic Name: (6E,9E,12E)-N-[(3-methoxy-4-oxidanyl-phenyl)methyl]octadeca-6,9,12-trienamide Openeye Name: (6E,9E,12E)-N-[(4-hydroxy-3-methoxy-phenyl)methyl]octadeca-6,9,12-trienamide CAS Name: (6E,9E,12E)-N-[(4-hydroxy-3-methoxyphenyl)methyl]octadeca-6,9,12-trienamide IUPAC Name: (6E,9E,12E)-N-[(4-hydroxy-3-methoxyphenyl)methyl]octadeca-6,9,12-trienamide Traditional Name: (6E,9E,12E)-N-vanillyloctadeca-6,9,12-trienamide Formula: C26H39NO3 MolecularWeight: 413.59276

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC=CCC=CCC=CCCCCC(=O)NCC1=CC(=C(C=C1)O)OC

Isomeric SMILES

CCCCC/C=C/C/C=C/C/C=C/CCCCC(=O)NCC1=CC(=C(C=C1)O)OC

InChI

InChI=1S/C26H39NO3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-26(29)27-22-23-19-20-24(28)25(21-23)30-2/h7-8,10-11,13-14,19-21,28H,3-6,9,12,15-18,22H2,1-2H3,(H,27,29)/b8-7+,11-10+,14-13+