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N-[(3-methoxy-4-oxidanyl-phenyl)methyl]docos-13-ynamide

N-[(3-methoxy-4-oxidanyl-phenyl)methyl]docos-13-ynamide

Systemtic Name:N-[(3-methoxy-4-oxidanyl-phenyl)methyl]docos-13-ynamide
Openeye Name:N-[(4-hydroxy-3-methoxy-phenyl)methyl]docos-13-ynamide
CAS Name:N-[(4-hydroxy-3-methoxyphenyl)methyl]-13-docosynamide
IUPAC Name:N-[(4-hydroxy-3-methoxyphenyl)methyl]docos-13-ynamide
Traditional Name:N-vanillyldocos-13-ynamide
Formula: C30H49NO3
MolecularWeight: 471.71496
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Descriptors Computed from Structure

Canonical SMILES:

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


Isomeric SMILES

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


InChI

InChI=1S/C30H49NO3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-30(33)31-26-27-23-24-28(32)29(25-27)34-2/h23-25,32H,3-9,12-22,26H2,1-2H3,(H,31,33)


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