Mrv0541 11191316512D          

 21 22  0  0  0  0            999 V2000
    9.1652   -3.3791    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1641   -4.2065    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8789   -4.6194    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5953   -4.2060    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5925   -3.3755    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8771   -2.9664    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3054   -2.9603    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0214   -3.3701    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7343   -2.9549    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4503   -3.3647    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.7312   -2.1299    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.1633   -2.9495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8793   -3.3593    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5922   -2.9442    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.3053   -3.3561    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.0178   -2.9416    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.0151   -2.1157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.2941   -1.7061    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5846   -2.1230    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.7275   -1.6996    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.4440   -2.1085    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  1  0  0  0  0
  9 11  2  0  0  0  0
  5  6  2  0  0  0  0
 10 12  1  0  0  0  0
  6  1  1  0  0  0  0
 12 13  1  0  0  0  0
  1  2  2  0  0  0  0
 13 14  1  0  0  0  0
  5  7  1  0  0  0  0
 14 15  2  0  0  0  0
  3  4  2  0  0  0  0
 15 16  1  0  0  0  0
  7  8  2  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
  8  9  1  0  0  0  0
 18 19  2  0  0  0  0
 19 14  1  0  0  0  0
  4  5  1  0  0  0  0
 17 20  1  0  0  0  0
  9 10  1  0  0  0  0
 20 21  1  0  0  0  0
M  END
> <ID>
CHEBI:67367

> <NAME>
pisoniamide

> <DEFINITION>
A member of the class of cinnamamides that is trans-cinnamamide substituted by a 2-(4-methoxyphenyl)ethyl group at the nitrogen atom. It has been isolated from Pisonia aculeata.

> <STAR>
3

> <SYNONYM>
N-[2-(4-methoxyphenyl)ethyl]-3-phenylacrylamide; N-(4-methoxyphenethyl)cinnamamide

> <IUPAC_NAME>
(2E)-N-[2-(4-methoxyphenyl)ethyl]-3-phenylprop-2-enamide

> <FORMULA>
C18H19NO2

> <MASS>
281.34900

> <MONOISOTOPIC_MASS>
281.14158

> <CHARGE>
0

> <SMILES>
COc1ccc(CCNC(=O)\C=C\c2ccccc2)cc1

> <INCHI>
InChI=1S/C18H19NO2/c1-21-17-10-7-16(8-11-17)13-14-19-18(20)12-9-15-5-3-2-4-6-15/h2-12H,13-14H2,1H3,(H,19,20)/b12-9+

> <INCHIKEY>
CHPUDVNXYIZPKX-FMIVXFBMSA-N

> <REAXYS_REGISTRY_NUMBER>
9563365

> <PUBMED_CITATION>
21542597

$$$$