-ISIS-  08091621332D

 19 20  0  0  0  0  0  0  0  0999 V2000
    0.0083    0.2542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8625   -0.2417    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    1.7292    0.2542    0.0000 N   0  0  3  0  0  0  0  0  0  0  0  0
   -0.8667   -0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8625   -1.2417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0083   -1.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8667   -1.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7292    0.2542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4583    1.2542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7292   -1.7417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5917   -0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7292    1.2542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4583    0.2542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5917    1.7542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7292    1.2542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5958   -0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5958    1.7542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4625    0.2542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4625    1.2542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  1  1  0  0  0  0
  5  2  1  0  0  0  0
  6  5  2  0  0  0  0
  7  4  2  0  0  0  0
  8  4  1  0  0  0  0
  9 14  1  0  0  0  0
 10  5  1  0  0  0  0
 11  3  1  0  0  0  0
 12  3  1  0  0  0  0
 13 11  1  0  0  0  0
 14 12  1  0  0  0  0
 15  8  1  0  0  0  0
 16  8  2  0  0  0  0
 17 15  2  0  0  0  0
 18 16  1  0  0  0  0
 19 18  2  0  0  0  0
 13  9  1  0  0  0  0
 17 19  1  0  0  0  0
M  END
>  <ID> (BBL000848)
BBL000848

>  <Rotatable_Bonds> (BBL000848)
4

>  <logP> (BBL000848)
1.804

>  <PSA> (BBL000848)
66.84

>  <H_Donors> (BBL000848)
1

>  <H_Acceptors> (BBL000848)
4

>  <Number_of_rings> (BBL000848)
2

>  <NAME> (BBL000848)
2-(morpholin-4-yl)-4-oxo-4-phenylbutanoic acid

>  <Mol_Weight> (BBL000848)
263.29

>  <Mol_Formula> (BBL000848)
C14H17NO4

>  <Smiles> (BBL000848)
O=C(c1ccccc1)CC(C(=O)O)N1CCOCC1

>  <Alternative_identifier> (BBL000848)
MFCD00607961

$$$$