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

Systemtic Name: N-[(3-methoxy-4-oxidanyl-phenyl)methyl]-12-methyl-octadec-9-ynamide Openeye Name: N-[(4-hydroxy-3-methoxy-phenyl)methyl]-12-methyl-octadec-9-ynamide CAS Name: N-[(4-hydroxy-3-methoxyphenyl)methyl]-12-methyl-9-octadecynamide IUPAC Name: N-[(4-hydroxy-3-methoxyphenyl)methyl]-12-methyloctadec-9-ynamide Traditional Name: 12-methyl-N-vanillyl-octadec-9-ynamide Formula: C27H43NO3 MolecularWeight: 429.63522

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H43NO3/c1-4-5-6-13-16-23(2)17-14-11-9-7-8-10-12-15-18-27(30)28-22-24-19-20-25(29)26(21-24)31-3/h19-21,23,29H,4-10,12-13,15-18,22H2,1-3H3,(H,28,30)