
 BDBM37804

 55 58  0  0  0  0  0  0  0  0999 V2000
    3.3323    7.1472    0.1063 C   0  0  0  0  0
    4.3958    7.0391   -0.9723 C   0  0  0  0  0
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    7.5073    3.6226    0.4547 C   0  0  0  0  0
    7.1088    4.9504    0.2689 C   0  0  0  0  0
    7.0226    1.1321    0.2449 C   0  0  0  0  0
    6.1036    0.3223    0.3246 O   0  0  0  0  0
    8.4737    0.7318    0.2963 C   0  0  0  0  0
    8.8859   -0.5163    1.0869 C   0  0  0  0  0
   10.2309   -0.7975    0.5803 N   0  0  0  0  0
   10.3759   -0.3895   -0.7281 C   0  0  0  0  0
   11.3102   -0.5346   -1.4821 O   0  0  0  0  0
    9.1234    0.4416   -1.0182 C   0  0  0  0  0
    8.7994    0.8475   -2.1163 O   0  0  0  0  0
   11.2917   -1.3821    1.3856 C   0  0  0  0  0
   11.2876   -2.9067    1.4766 C   0  0  0  0  0
   11.5252   -3.6157    0.1547 C   0  0  0  0  0
   12.0912   -4.9341    0.6187 C   0  0  0  0  0
   12.9506   -4.5157    1.7924 C   0  0  0  0  0
   12.3552   -3.3345    2.3501 O   0  0  0  0  0
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    6.8517   -3.5485    0.3206 C   0  0  0  0  0
    7.0971   -3.5666    1.6749 C   0  0  0  0  0
    7.8355   -2.4801    2.0313 O   0  0  0  0  0
    6.7300   -4.5022    2.7564 C   0  0  0  0  0
    2.3938    7.5217   -0.3117 H   0  0  0  0  0
    3.6601    7.8300    0.8976 H   0  0  0  0  0
    3.1437    6.1797    0.5811 H   0  0  0  0  0
    4.5788    8.0406   -1.3783 H   0  0  0  0  0
    4.0727    6.4275   -1.8209 H   0  0  0  0  0
    4.0608    4.4028   -1.1400 H   0  0  0  0  0
    4.7560    2.0898   -0.8282 H   0  0  0  0  0
    8.4628    3.4608    0.9396 H   0  0  0  0  0
    7.7655    5.7576    0.5882 H   0  0  0  0  0
    9.0565    1.5529    0.7251 H   0  0  0  0  0
    8.9509   -0.2658    2.1528 H   0  0  0  0  0
   11.2363   -0.9436    2.3892 H   0  0  0  0  0
   12.2539   -1.0516    0.9735 H   0  0  0  0  0
   10.3574   -3.2608    1.9321 H   0  0  0  0  0
   12.2753   -3.0878   -0.4464 H   0  0  0  0  0
   10.6157   -3.7213   -0.4426 H   0  0  0  0  0
   11.2800   -5.5859    0.9638 H   0  0  0  0  0
   12.6538   -5.4672   -0.1519 H   0  0  0  0  0
   13.0159   -5.2904    2.5615 H   0  0  0  0  0
   13.9651   -4.2572    1.4708 H   0  0  0  0  0
    7.4833   -2.0472   -1.2110 H   0  0  0  0  0
    6.2847   -4.2822   -0.2355 H   0  0  0  0  0
    7.3647   -5.3929    2.7181 H   0  0  0  0  0
    5.6871   -4.8182    2.6548 H   0  0  0  0  0
    6.8488   -4.0389    3.7407 H   0  0  0  0  0
  1  2  1  0  0  0
  1 31  1  0  0  0
  1 32  1  0  0  0
  1 33  1  0  0  0
  2  3  1  0  0  0
  2 34  1  0  0  0
  2 35  1  0  0  0
  3  4  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 12  1  0  0  0
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 12 17  1  0  0  0
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 20 24  1  0  0  0
 20 21  1  0  0  0
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M  END

>  <Chemical Name>
BDBM37804

>  <PubChem CID>
91896342

>  <Formula>
C23H25NO6

>  <Molecular Weight>
411.454000

>  <IUPAC Name>
4-(4-ethoxybenzoyl)-5-(5-methylfuran-2-yl)-1-(oxolan-2-ylmethyl)pyrrolidine-2,3-dione

>  <XlogP>
2.7

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
6

>  <Canonical SMILES>
CCOC1=CC=C(C=C1)C(=O)C2C(N(C(=O)C2=O)CC3CCCO3)C4=CC=C(O4)C

>  <Isomeric SMILES>
CCOC1=CC=C(C=C1)C(=O)C2C(N(C(=O)C2=O)CC3CCCO3)C4=CC=C(O4)C

>  <InChI Std. ID>
InChI=1S/C23H25NO6/c1-3-28-16-9-7-15(8-10-16)21(25)19-20(18-11-6-14(2)30-18)24(23(27)22(19)26)13-17-5-4-12-29-17/h6-11,17,19-20H,3-5,12-13H2,1-2H3

>  <InChI Key>
DGLYSEVHWBXRGR-UHFFFAOYSA-N

