-ISIS-  08251614582D

 17 18  0  0  0  0  0  0  0  0999 V2000
   -0.2667   -0.8167    0.0000 N   0  0  3  0  0  0  0  0  0  0  0  0
   -1.2667    0.4208    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -1.1958   -1.1750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2667    0.1458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6250    1.3417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8000   -0.3542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6125   -1.2917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5250   -2.1208    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0292    2.1250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6167    1.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4875   -0.7917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2500    0.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3917   -1.2792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4875    0.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3458    0.7250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2458   -0.7833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2458    0.2042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  4  1  0  0  0  0
  3  1  1  0  0  0  0
  4  1  1  0  0  0  0
  5  2  1  0  0  0  0
  6  3  1  0  0  0  0
  7  1  1  0  0  0  0
  8  3  2  0  0  0  0
  9  5  2  0  0  0  0
 10  5  1  0  0  0  0
 11  7  1  0  0  0  0
 12 10  1  0  0  0  0
 13 11  2  0  0  0  0
 14 11  1  0  0  0  0
 15 14  2  0  0  0  0
 16 13  1  0  0  0  0
 17 15  1  0  0  0  0
  6  2  1  0  0  0  0
 17 16  2  0  0  0  0
M  END
>  <ID> (STK400199)
STK400199

>  <Rotatable_Bonds> (STK400199)
3

>  <logP> (STK400199)
1.103

>  <PSA> (STK400199)
46.61

>  <H_Donors> (STK400199)
0

>  <H_Acceptors> (STK400199)
3

>  <Number_of_rings> (STK400199)
2

>  <NAME> (STK400199)
methyl 1-benzyl-5-oxopyrrolidine-3-carboxylate

>  <Mol_Weight> (STK400199)
233.27

>  <Mol_Formula> (STK400199)
C13H15NO3

>  <Smiles> (STK400199)
COC(=O)C1CN(C(=O)C1)Cc1ccccc1

$$$$