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12-ethyl-N-[(3-methoxy-4-oxidanyl-phenyl)methyl]octadec-9-ynamide

12-ethyl-N-[(3-methoxy-4-oxidanyl-phenyl)methyl]octadec-9-ynamide

Systemtic Name:12-ethyl-N-[(3-methoxy-4-oxidanyl-phenyl)methyl]octadec-9-ynamide
Openeye Name:12-ethyl-N-[(4-hydroxy-3-methoxy-phenyl)methyl]octadec-9-ynamide
CAS Name:12-ethyl-N-[(4-hydroxy-3-methoxyphenyl)methyl]-9-octadecynamide
IUPAC Name:12-ethyl-N-[(4-hydroxy-3-methoxyphenyl)methyl]octadec-9-ynamide
Traditional Name:12-ethyl-N-vanillyl-octadec-9-ynamide
Formula: C28H45NO3
MolecularWeight: 443.6618
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(CC)CC#CCCCCCCCC(=O)NCC1=CC(=C(C=C1)O)OC


Isomeric SMILES

CCCCCCC(CC)CC#CCCCCCCCC(=O)NCC1=CC(=C(C=C1)O)OC


InChI

InChI=1S/C28H45NO3/c1-4-6-7-14-17-24(5-2)18-15-12-10-8-9-11-13-16-19-28(31)29-23-25-20-21-26(30)27(22-25)32-3/h20-22,24,30H,4-11,13-14,16-19,23H2,1-3H3,(H,29,31)


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