2-4-(3-Formyl-2,5-dimethyl-1H-pyrrol-1-yl)phenoxypropanoic Acid
  -molcms-06172615102D

 21 22  0  0  0  0  0  0  0  0999 V2000
   -0.2788    1.7601    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3090    0.9511    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3090    0.9511    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6180    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8090   -0.5878    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8090   -1.5878    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9511   -0.3090    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1590   -1.2872    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1100   -1.5962    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8532   -0.9271    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6453    0.0511    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6942    0.3601    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8042   -1.2361    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5474   -0.5669    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3395    0.4112    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4984   -0.8760    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7063   -1.8541    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2416   -0.2068    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5691   -0.3090    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3122    0.3601    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  7  2  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13  8  1  0  0  0  0
 11 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 15 17  1  0  0  0  0
 17 18  2  0  0  0  0
 17 19  1  0  0  0  0
  4 20  1  0  0  0  0
 20 21  2  0  0  0  0
M  END
>  <ProductName>
2-4-(3-Formyl-2,5-dimethyl-1H-pyrrol-1-yl)phenoxypropanoic Acid

>  <CASNumber>
812642-70-9

>  <MolecularFormula>
C16H17NO4

>  <MDLNo>
MFCD03848136

>  <MolWt>
287.31

>  <BoilingPoint>
480.8��C at 760 mmHg

>  <MeltingPoint>


>  <MolFile>


>  <Smiles>
CC1=CC(=C(C)N1C2=CC=C(C=C2)OC(C)C(=O)O)C=O

$$$$