
 BDBM40424

 56 58  0  0  0  0  0  0  0  0999 V2000
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    3.8491    3.0918   -1.8083 C   0  0  0  0  0
    3.5706    1.7253   -1.9195 C   0  0  0  0  0
    4.4040    5.1653   -0.4971 C   0  0  0  0  0
    3.2925    6.1754   -0.1302 C   0  0  0  0  0
    4.1655    7.3860    0.0199 C   0  0  0  0  0
    3.8268    8.5405   -0.1469 O   0  0  0  0  0
    5.5601    6.9225    0.4608 C   0  0  0  0  0
    6.4488    7.6548    0.8397 O   0  0  0  0  0
    5.5637    5.5468    0.2956 N   0  0  0  0  0
    6.7719    4.7545    0.4461 C   0  0  0  0  0
    7.7193    4.8392   -0.7435 C   0  0  0  0  0
    8.9460    3.9685   -0.4945 C   0  0  0  0  0
    9.8470    4.1089   -1.5902 O   0  0  0  0  0
   11.0304    3.3453   -1.3869 C   0  0  0  0  0
    2.5968    5.9515    1.2009 C   0  0  0  0  0
    3.1963    5.4714    2.1637 O   0  0  0  0  0
    1.2005    6.4425    1.4246 C   0  0  0  0  0
    0.6656    6.3114    2.7178 C   0  0  0  0  0
   -0.6226    6.7624    3.0096 C   0  0  0  0  0
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    0.4216    7.0433    0.4302 C   0  0  0  0  0
    1.1728   -0.4301   -0.1020 H   0  0  0  0  0
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    1.2807   -0.4357   -1.8684 H   0  0  0  0  0
    3.5787   -1.0261    0.0757 H   0  0  0  0  0
    3.5847   -0.9799   -2.9792 H   0  0  0  0  0
    3.8607   -2.3576   -1.9129 H   0  0  0  0  0
    5.0349   -1.0338   -1.9612 H   0  0  0  0  0
    3.5114    0.9472    1.3848 H   0  0  0  0  0
    4.0223    3.3205    1.5793 H   0  0  0  0  0
    3.9479    3.6691   -2.7264 H   0  0  0  0  0
    3.4501    1.2997   -2.9127 H   0  0  0  0  0
    4.7191    5.4261   -1.5223 H   0  0  0  0  0
    2.6019    6.2628   -0.9689 H   0  0  0  0  0
    6.4983    3.7166    0.6522 H   0  0  0  0  0
    7.2898    5.1287    1.3379 H   0  0  0  0  0
    8.0315    5.8766   -0.9162 H   0  0  0  0  0
    7.2192    4.5221   -1.6665 H   0  0  0  0  0
    8.6488    2.9170   -0.4025 H   0  0  0  0  0
    9.4460    4.2774    0.4312 H   0  0  0  0  0
   11.7010    3.5141   -2.2333 H   0  0  0  0  0
   10.7906    2.2788   -1.3361 H   0  0  0  0  0
   11.5396    3.6595   -0.4701 H   0  0  0  0  0
    1.2567    5.8658    3.5171 H   0  0  0  0  0
   -1.0175    6.6618    4.0178 H   0  0  0  0  0
   -2.3971    7.7001    2.2348 H   0  0  0  0  0
   -1.4759    7.9544   -0.0513 H   0  0  0  0  0
    0.7841    7.1992   -0.5797 H   0  0  0  0  0
  1  2  1  0  0  0
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  1 31  1  0  0  0
  1 32  1  0  0  0
  2  4  1  0  0  0
  2  3  1  0  0  0
  2 33  1  0  0  0
  3 34  1  0  0  0
  3 35  1  0  0  0
  3 36  1  0  0  0
  4  5  2  0  0  0
  4  9  1  0  0  0
  5  6  1  0  0  0
  5 37  1  0  0  0
  6  7  2  0  0  0
  6 38  1  0  0  0
  7  8  1  0  0  0
  7 10  1  0  0  0
  8  9  2  0  0  0
  8 39  1  0  0  0
  9 40  1  0  0  0
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 10 11  1  0  0  0
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M  END

>  <Chemical Name>
BDBM40424

>  <PubChem CID>
91896457

>  <Formula>
C24H27NO4

>  <Molecular Weight>
393.483000

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

>  <XlogP>
3.8

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
CC(C)C1=CC=C(C=C1)C2C(C(=O)C(=O)N2CCCOC)C(=O)C3=CC=CC=C3

>  <Isomeric SMILES>
CC(C)C1=CC=C(C=C1)C2C(C(=O)C(=O)N2CCCOC)C(=O)C3=CC=CC=C3

>  <InChI Std. ID>
InChI=1S/C24H27NO4/c1-16(2)17-10-12-18(13-11-17)21-20(22(26)19-8-5-4-6-9-19)23(27)24(28)25(21)14-7-15-29-3/h4-6,8-13,16,20-21H,7,14-15H2,1-3H3

>  <InChI Key>
BXOMZPLKZILGGO-UHFFFAOYSA-N

