(E)-N-[(3-methoxy-4-oxidanyl-phenyl)methyl]-9-methyl-octadec-9-enamide

Systemtic Name: (E)-N-[(3-methoxy-4-oxidanyl-phenyl)methyl]-9-methyl-octadec-9-enamide Openeye Name: (E)-N-[(4-hydroxy-3-methoxy-phenyl)methyl]-9-methyl-octadec-9-enamide CAS Name: (E)-N-[(4-hydroxy-3-methoxyphenyl)methyl]-9-methyl-9-octadecenamide IUPAC Name: (E)-N-[(4-hydroxy-3-methoxyphenyl)methyl]-9-methyloctadec-9-enamide Traditional Name: (E)-9-methyl-N-vanillyl-octadec-9-enamide Formula: C27H45NO3 MolecularWeight: 431.6511

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC=C(C)CCCCCCCC(=O)NCC1=CC(=C(C=C1)O)OC

Isomeric SMILES

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

InChI

InChI=1S/C27H45NO3/c1-4-5-6-7-8-10-13-16-23(2)17-14-11-9-12-15-18-27(30)28-22-24-19-20-25(29)26(21-24)31-3/h16,19-21,29H,4-15,17-18,22H2,1-3H3,(H,28,30)/b23-16+