
 CHEMBL434658

 61 63  0  0  0  0  0  0  0  0999 V2000
    1.4931    0.5963    0.0876 C   0  0  0  0  0
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   -7.8602   -3.4161   -2.5797 O   0  0  0  0  0
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    1.1996   -0.2381    0.7349 H   0  0  0  0  0
    0.8248    0.5915   -0.7778 H   0  0  0  0  0
    3.5254    0.5234    0.6419 H   0  0  0  0  0
    2.8863   -1.6771   -0.1901 H   0  0  0  0  0
    4.3317   -1.0810   -0.9920 H   0  0  0  0  0
    4.0800   -0.3026   -3.4512 H   0  0  0  0  0
    2.4494   -0.2150   -4.0970 H   0  0  0  0  0
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    1.7624    1.5035   -2.6183 H   0  0  0  0  0
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    3.4692    3.7813   -1.4594 H   0  0  0  0  0
    3.2997    3.2068    0.2040 H   0  0  0  0  0
    5.3290    1.5475   -3.4505 H   0  0  0  0  0
    8.9636    1.7441   -1.2134 H   0  0  0  0  0
    7.6695    1.9105    0.8993 H   0  0  0  0  0
    5.2251    1.8591    0.8624 H   0  0  0  0  0
    7.3527    1.4257   -4.3321 H   0  0  0  0  0
    2.5658   -3.2125   -1.8912 H   0  0  0  0  0
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   -6.1153   -1.6537   -1.8625 H   0  0  0  0  0
   -6.6295   -5.7060   -3.2109 H   0  0  0  0  0
   -4.2018   -6.0578   -3.1126 H   0  0  0  0  0
   -8.3085   -4.2352   -2.8462 H   0  0  0  0  0
  1  2  1  0  0  0
  1 30  1  0  0  0
  1 31  1  0  0  0
  1 32  1  0  0  0
  2  7  1  0  0  0
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  3  4  1  0  0  0
  3 34  1  0  0  0
  3 35  1  0  0  0
  4  5  1  0  0  0
  4 16  1  0  0  0
  5  6  1  0  0  0
  5 36  1  0  0  0
  5 37  1  0  0  0
  6  7  1  0  0  0
  6 38  1  0  0  0
  6 39  1  0  0  0
  7  9  1  0  0  0
  7  8  1  0  0  0
  8 40  1  0  0  0
  8 41  1  0  0  0
  8 42  1  0  0  0
  9 10  2  0  0  0
  9 14  1  0  0  0
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 29 61  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL434658

>  <PubChem CID>
44365493

>  <Formula>
C24H32N2O3

>  <Molecular Weight>
396.531000

>  <IUPAC Name>
3-(4-hydroxyphenyl)-N-[2-[4-(3-hydroxyphenyl)-3,4-dimethylpiperidin-1-yl]ethyl]propanamide

>  <XlogP>
4.0

>  <Hydrogen Bond Donors>
3

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
CC1CN(CCC1(C)C2=CC(=CC=C2)O)CCNC(=O)CCC3=CC=C(C=C3)O

>  <Isomeric SMILES>
CC1CN(CCC1(C)C2=CC(=CC=C2)O)CCNC(=O)CCC3=CC=C(C=C3)O

>  <InChI Std. ID>
InChI=1S/C24H32N2O3/c1-18-17-26(14-12-24(18,2)20-4-3-5-22(28)16-20)15-13-25-23(29)11-8-19-6-9-21(27)10-7-19/h3-7,9-10,16,18,27-28H,8,11-15,17H2,1-2H3,(H,25,29)

>  <InChI Key>
AEHFDSQYDTZIFK-UHFFFAOYSA-N

