
 CHEMBL3596455

 57 60  0  0  0  0  0  0  0  0999 V2000
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    1.1185    2.4856    0.6771 C   0  0  0  0  0
    1.0701   -2.1029   -0.4686 H   0  0  0  0  0
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    1.5704    0.4038    2.3573 H   0  0  0  0  0
    1.7749   -1.2738    1.9217 H   0  0  0  0  0
    3.1472   -1.0107    0.0460 H   0  0  0  0  0
    3.2553    0.7404    0.2700 H   0  0  0  0  0
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    1.9113    2.3637    1.4106 H   0  0  0  0  0
  1  6  1  0  0  0
  1  2  1  0  0  0
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  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
  3 36  1  0  0  0
  4  5  1  0  0  0
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  4 38  1  0  0  0
  5  6  1  0  0  0
  5 39  1  0  0  0
  5 40  1  0  0  0
  6 26  1  0  0  0
  6  7  1  0  0  0
  7  8  1  0  0  0
  7 41  1  0  0  0
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  8  9  1  0  0  0
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M  END

>  <Chemical Name>
CHEMBL3596455

>  <PubChem CID>
24785443

>  <Formula>
C26H26F3NO

>  <Molecular Weight>
425.495000

>  <IUPAC Name>
4-phenyl-4-[[3-phenyl-5-(trifluoromethyl)phenyl]methoxymethyl]piperidine

>  <XlogP>
5.9

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
C1CNCCC1(COCC2=CC(=CC(=C2)C3=CC=CC=C3)C(F)(F)F)C4=CC=CC=C4

>  <Isomeric SMILES>
C1CNCCC1(COCC2=CC(=CC(=C2)C3=CC=CC=C3)C(F)(F)F)C4=CC=CC=C4

>  <InChI Std. ID>
InChI=1S/C26H26F3NO/c27-26(28,29)24-16-20(15-22(17-24)21-7-3-1-4-8-21)18-31-19-25(11-13-30-14-12-25)23-9-5-2-6-10-23/h1-10,15-17,30H,11-14,18-19H2

>  <InChI Key>
SRMXHUHLADNSJU-UHFFFAOYSA-N

