(9E,12E)-15-ethyl-N-[(3-methoxy-4-oxidanyl-phenyl)methyl]octadeca-9,12-dienamide

Systemtic Name: (9E,12E)-15-ethyl-N-[(3-methoxy-4-oxidanyl-phenyl)methyl]octadeca-9,12-dienamide Openeye Name: (9E,12E)-15-ethyl-N-[(4-hydroxy-3-methoxy-phenyl)methyl]octadeca-9,12-dienamide CAS Name: (9E,12E)-15-ethyl-N-[(4-hydroxy-3-methoxyphenyl)methyl]octadeca-9,12-dienamide IUPAC Name: (9E,12E)-15-ethyl-N-[(4-hydroxy-3-methoxyphenyl)methyl]octadeca-9,12-dienamide Traditional Name: (9E,12E)-15-ethyl-N-vanillyl-octadeca-9,12-dienamide Formula: C28H45NO3 MolecularWeight: 443.6618

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC(CC)CC=CCC=CCCCCCCCC(=O)NCC1=CC(=C(C=C1)O)OC

Isomeric SMILES

CCCC(CC)C/C=C/C/C=C/CCCCCCCC(=O)NCC1=CC(=C(C=C1)O)OC

InChI

InChI=1S/C28H45NO3/c1-4-17-24(5-2)18-15-13-11-9-7-6-8-10-12-14-16-19-28(31)29-23-25-20-21-26(30)27(22-25)32-3/h7,9,13,15,20-22,24,30H,4-6,8,10-12,14,16-19,23H2,1-3H3,(H,29,31)/b9-7+,15-13+