-ISIS-  08251614182D

 28 30  0  0  0  0  0  0  0  0999 V2000
    0.3042    2.1667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8292    0.6250    0.0000 N   0  0  3  0  0  0  0  0  0  0  0  0
    1.6208    1.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3125    2.1792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.2125    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -0.8625    0.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2792    2.9708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8125   -0.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7875   -3.3875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5833    0.9292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7875   -2.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7167    1.2125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8917    2.9875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6625   -3.8708    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2708    2.8500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6750   -0.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0583   -0.8625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6625   -1.8792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0750   -1.8750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7292    2.2125    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0750   -3.8792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8625   -0.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1208    3.8833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5792    0.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9292   -3.3875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7167   -0.7875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8000   -3.8792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5875   -0.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  5  1  0  0  0  0
  3  4  1  0  0  0  0
  4  1  2  0  0  0  0
  5  1  1  0  0  0  0
  6  5  1  0  0  0  0
  7  1  1  0  0  0  0
  8  2  1  0  0  0  0
  9 11  1  0  0  0  0
 10  3  2  0  0  0  0
 11 19  2  0  0  0  0
 12  6  1  0  0  0  0
 13  4  1  0  0  0  0
 14  9  2  0  0  0  0
 15  7  2  0  0  0  0
 16  8  1  0  0  0  0
 17  8  2  0  0  0  0
 18 16  2  0  0  0  0
 19 17  1  0  0  0  0
 20 12  1  0  0  0  0
 21  9  1  0  0  0  0
 22  6  2  0  0  0  0
 23  7  1  0  0  0  0
 24 12  2  0  0  0  0
 25 21  1  0  0  0  0
 26 22  1  0  0  0  0
 27 25  1  0  0  0  0
 28 26  2  0  0  0  0
  2  3  1  0  0  0  0
 28 24  1  0  0  0  0
 11 18  1  0  0  0  0
M  END
>  <ID> (STK842633)
STK842633

>  <Rotatable_Bonds> (STK842633)
5

>  <logP> (STK842633)
3.036

>  <PSA> (STK842633)
83.91

>  <H_Donors> (STK842633)
1

>  <H_Acceptors> (STK842633)
5

>  <Number_of_rings> (STK842633)
3

>  <NAME> (STK842633)
ethyl 4-[3-acetyl-2-(2-fluorophenyl)-4-hydroxy-5-oxo-2,5-dihydro-1H-pyrrol-1-yl]benzoate

>  <Mol_Weight> (STK842633)
383.38

>  <Mol_Formula> (STK842633)
C21H18FNO5

>  <Smiles> (STK842633)
CCOC(=O)c1ccc(cc1)N1C(=O)C(=C(C1c1ccccc1F)C(=O)C)O

$$$$