
 BDBM40407

 53 55  0  0  0  0  0  0  0  0999 V2000
    2.5008   -1.3508    0.0623 C   0  0  0  0  0
    2.5610   -0.4793   -1.1980 C   0  0  0  0  0
    1.2021   -0.5453   -1.9099 C   0  0  0  0  0
    3.0023    0.9627   -0.9728 C   0  0  0  0  0
    3.1856    1.7985   -2.0835 C   0  0  0  0  0
    3.6020    3.1239   -1.9318 C   0  0  0  0  0
    3.8727    3.6614   -0.6635 C   0  0  0  0  0
    3.7077    2.8267    0.4445 C   0  0  0  0  0
    3.2768    1.5003    0.2923 C   0  0  0  0  0
    4.3150    5.1029   -0.5658 C   0  0  0  0  0
    3.2429    6.1105   -0.0867 C   0  0  0  0  0
    4.1437    7.3054    0.0132 C   0  0  0  0  0
    3.8237    8.4715   -0.1294 O   0  0  0  0  0
    5.5493    6.8063    0.3838 C   0  0  0  0  0
    6.4709    7.5112    0.7271 O   0  0  0  0  0
    5.5070    5.4348    0.1999 N   0  0  0  0  0
    6.6927    4.6014    0.3343 C   0  0  0  0  0
    7.7487    4.8180   -0.7478 C   0  0  0  0  0
    7.2576    4.3631   -2.0110 O   0  0  0  0  0
    8.2759    4.4301   -3.0023 C   0  0  0  0  0
    2.6972    5.8502    1.3077 C   0  0  0  0  0
    3.3965    5.4236    2.2262 O   0  0  0  0  0
    1.3269    6.2945    1.6520 C   0  0  0  0  0
    1.1390    6.9017    2.9025 C   0  0  0  0  0
   -0.1325    7.3069    3.3025 C   0  0  0  0  0
   -1.2202    7.0972    2.4582 C   0  0  0  0  0
   -1.0363    6.4874    1.2145 C   0  0  0  0  0
    0.2384    6.0844    0.8049 C   0  0  0  0  0
    3.4733   -1.3909    0.5646 H   0  0  0  0  0
    2.2234   -2.3799   -0.1926 H   0  0  0  0  0
    1.7590   -0.9758    0.7764 H   0  0  0  0  0
    3.3111   -0.9374   -1.8577 H   0  0  0  0  0
    0.4228   -0.0420   -1.3269 H   0  0  0  0  0
    0.8934   -1.5852   -2.0647 H   0  0  0  0  0
    1.2367   -0.0725   -2.8971 H   0  0  0  0  0
    3.0150    1.4208   -3.0898 H   0  0  0  0  0
    3.7333    3.7262   -2.8297 H   0  0  0  0  0
    3.9331    3.1844    1.4473 H   0  0  0  0  0
    3.1751    0.9004    1.1932 H   0  0  0  0  0
    4.5890    5.4025   -1.5920 H   0  0  0  0  0
    2.4650    6.2492   -0.8402 H   0  0  0  0  0
    6.3931    3.5519    0.3796 H   0  0  0  0  0
    7.1426    4.8605    1.3001 H   0  0  0  0  0
    8.6419    4.2407   -0.4792 H   0  0  0  0  0
    8.0258    5.8750   -0.8242 H   0  0  0  0  0
    7.8591    4.0791   -3.9493 H   0  0  0  0  0
    9.1170    3.7842   -2.7304 H   0  0  0  0  0
    8.6198    5.4612   -3.1280 H   0  0  0  0  0
    1.9849    7.0584    3.5704 H   0  0  0  0  0
   -0.2720    7.7769    4.2730 H   0  0  0  0  0
   -2.2149    7.4026    2.7745 H   0  0  0  0  0
   -1.8950    6.3159    0.5696 H   0  0  0  0  0
    0.3508    5.5841   -0.1520 H   0  0  0  0  0
  1  2  1  0  0  0
  1 29  1  0  0  0
  1 30  1  0  0  0
  1 31  1  0  0  0
  2  4  1  0  0  0
  2  3  1  0  0  0
  2 32  1  0  0  0
  3 33  1  0  0  0
  3 34  1  0  0  0
  3 35  1  0  0  0
  4  5  2  0  0  0
  4  9  1  0  0  0
  5  6  1  0  0  0
  5 36  1  0  0  0
  6  7  2  0  0  0
  6 37  1  0  0  0
  7  8  1  0  0  0
  7 10  1  0  0  0
  8  9  2  0  0  0
  8 38  1  0  0  0
  9 39  1  0  0  0
 10 16  1  0  0  0
 10 11  1  0  0  0
 10 40  1  0  0  0
 11 12  1  0  0  0
 11 21  1  0  0  0
 11 41  1  0  0  0
 12 14  1  0  0  0
 12 13  2  0  0  0
 14 16  1  0  0  0
 14 15  2  0  0  0
 16 17  1  0  0  0
 17 18  1  0  0  0
 17 42  1  0  0  0
 17 43  1  0  0  0
 18 19  1  0  0  0
 18 44  1  0  0  0
 18 45  1  0  0  0
 19 20  1  0  0  0
 20 46  1  0  0  0
 20 47  1  0  0  0
 20 48  1  0  0  0
 21 23  1  0  0  0
 21 22  2  0  0  0
 23 24  2  0  0  0
 23 28  1  0  0  0
 24 25  1  0  0  0
 24 49  1  0  0  0
 25 26  2  0  0  0
 25 50  1  0  0  0
 26 27  1  0  0  0
 26 51  1  0  0  0
 27 28  2  0  0  0
 27 52  1  0  0  0
 28 53  1  0  0  0
M  END

>  <Chemical Name>
BDBM40407

>  <PubChem CID>
91896447

>  <Formula>
C23H25NO4

>  <Molecular Weight>
379.456000

>  <IUPAC Name>
4-benzoyl-1-(2-methoxyethyl)-5-(4-propan-2-ylphenyl)pyrrolidine-2,3-dione

>  <XlogP>
3.4

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
CC(C)C1=CC=C(C=C1)C2C(C(=O)C(=O)N2CCOC)C(=O)C3=CC=CC=C3

>  <Isomeric SMILES>
CC(C)C1=CC=C(C=C1)C2C(C(=O)C(=O)N2CCOC)C(=O)C3=CC=CC=C3

>  <InChI Std. ID>
InChI=1S/C23H25NO4/c1-15(2)16-9-11-17(12-10-16)20-19(21(25)18-7-5-4-6-8-18)22(26)23(27)24(20)13-14-28-3/h4-12,15,19-20H,13-14H2,1-3H3

>  <InChI Key>
BTQHUBANESWOGV-UHFFFAOYSA-N

