-ISIS-  08251614012D

 31 33  0  0  0  0  0  0  0  0999 V2000
    1.7458    1.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5000    0.1583    0.0000 N   0  0  3  0  0  0  0  0  0  0  0  0
    2.7208    1.7542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2000    0.8792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5958    0.6042    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    1.0250    2.2875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7250    0.0958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.9792   -0.8750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2792   -1.5833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.2292    0.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2792    3.2542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6792   -1.3292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7792    2.5542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.6792   -0.8417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5333   -2.5500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3958   -2.0292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7958   -2.1708    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6125   -1.1792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3500   -1.7750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1667   -3.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7292   -2.5083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0583   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0250   -2.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7333   -2.9167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  5  1  0  0  0  0
  3  1  2  0  0  0  0
  4  3  1  0  0  0  0
  5  1  1  0  0  0  0
  6  1  1  0  0  0  0
  7  5  1  0  0  0  0
  8  6  1  0  0  0  0
  9  7  1  0  0  0  0
 10  9  2  0  0  0  0
 11  4  2  0  0  0  0
 12  8  1  0  0  0  0
 13  7  2  0  0  0  0
 14  6  2  0  0  0  0
 15 20  2  0  0  0  0
 16  8  2  0  0  0  0
 17  3  1  0  0  0  0
 18 12  1  0  0  0  0
 19 16  1  0  0  0  0
 20 13  1  0  0  0  0
 21  2  1  0  0  0  0
 22 10  1  0  0  0  0
 23 15  1  0  0  0  0
 24 25  1  0  0  0  0
 25 21  1  0  0  0  0
 26 23  1  0  0  0  0
 27 22  1  0  0  0  0
 28 24  1  0  0  0  0
 29 26  1  0  0  0  0
 30 29  1  0  0  0  0
 31 30  1  0  0  0  0
  2  4  1  0  0  0  0
 19 18  2  0  0  0  0
 10 15  1  0  0  0  0
M  END
>  <ID> (STK880580)
STK880580

>  <Rotatable_Bonds> (STK880580)
12

>  <logP> (STK880580)
2.845

>  <PSA> (STK880580)
98.44

>  <H_Donors> (STK880580)
1

>  <H_Acceptors> (STK880580)
7

>  <Number_of_rings> (STK880580)
3

>  <NAME> (STK880580)
5-(4-butoxy-3-methoxyphenyl)-4-(furan-2-ylcarbonyl)-3-hydroxy-1-(2-methoxyethyl)-1,5-dihydro-2H-pyrrol-2-one

>  <Mol_Weight> (STK880580)
429.47

>  <Mol_Formula> (STK880580)
C23H27NO7

>  <Smiles> (STK880580)
CCCCOc1ccc(cc1OC)C1N(CCOC)C(=O)C(=C1C(=O)c1ccco1)O

$$$$