-ISIS-  08251614182D

 22 24  0  0  0  0  0  0  0  0999 V2000
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    0.9833    0.8750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4708   -0.0125    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.4708   -1.7333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0042   -0.8750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0042    0.8750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4792   -0.0125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5083   -1.7333    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5083   -0.0125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4708    1.7375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0208   -0.8750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9833   -2.5875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9500    2.5917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5083    1.7375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5125   -1.7333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5125    1.7375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0208    0.8750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0125   -0.8750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -2.5167   -0.0125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0125    2.5917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  1  0  0  0  0
  3  1  1  0  0  0  0
  4  1  1  0  0  0  0
  5  1  2  0  0  0  0
  6  7  1  0  0  0  0
  7  5  1  0  0  0  0
  8  4  1  0  0  0  0
  9  3  1  0  0  0  0
 10  2  1  0  0  0  0
 11  8  1  0  0  0  0
 12  4  2  0  0  0  0
 13 10  2  0  0  0  0
 14 10  1  0  0  0  0
 15  5  1  0  0  0  0
 16  6  1  0  0  0  0
 17  9  1  0  0  0  0
 18 11  1  0  0  0  0
 19 14  1  0  0  0  0
 20 17  2  0  0  0  0
 21 18  2  0  0  0  0
 22 19  1  0  0  0  0
  6  2  2  0  0  0  0
 11  9  2  0  0  0  0
 21 20  1  0  0  0  0
M  END
>  <ID> (STK529101)
STK529101

>  <Rotatable_Bonds> (STK529101)
3

>  <logP> (STK529101)
2.011

>  <PSA> (STK529101)
64.63

>  <H_Donors> (STK529101)
1

>  <H_Acceptors> (STK529101)
4

>  <Number_of_rings> (STK529101)
3

>  <NAME> (STK529101)
ethyl 2,4-dimethyl-5-oxo-3,10b-dihydro-5H-chromeno[3,4-c]pyridine-1-carboxylate

>  <Mol_Weight> (STK529101)
299.33

>  <Mol_Formula> (STK529101)
C17H17NO4

>  <Smiles> (STK529101)
CCOC(=O)C1=C(C)NC(=C2C1c1ccccc1OC2=O)C

$$$$