(E)-N-[(3-methoxy-4-oxidanyl-phenyl)methyl]octadec-2-enamide; (E)-octadec-2-enamide

Systemtic Name: (E)-N-[(3-methoxy-4-oxidanyl-phenyl)methyl]octadec-2-enamide; (E)-octadec-2-enamide Openeye Name: (E)-N-[(4-hydroxy-3-methoxy-phenyl)methyl]octadec-2-enamide; (E)-octadec-2-enamide CAS Name: (E)-N-[(4-hydroxy-3-methoxyphenyl)methyl]-2-octadecenamide; (E)-2-octadecenamide IUPAC Name: (E)-N-[(4-hydroxy-3-methoxyphenyl)methyl]octadec-2-enamide; (E)-octadec-2-enamide Traditional Name: (E)-octadec-2-enamide; (E)-N-vanillyloctadec-2-enamide Formula: C44H78N2O4 MolecularWeight: 699.10112

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC=CC(=O)N.CCCCCCCCCCCCCCCC=CC(=O)NCC1=CC(=C(C=C1)O)OC

Isomeric SMILES

CCCCCCCCCCCCCCC/C=C/C(=O)N.CCCCCCCCCCCCCCC/C=C/C(=O)NCC1=CC(=C(C=C1)O)OC

InChI

InChI=1S/C26H43NO3.C18H35NO/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;1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h17-21,28H,3-16,22H2,1-2H3,(H,27,29);16-17H,2-15H2,1H3,(H2,19,20)/b18-17+;17-16+