
 CHEMBL3596457

 54 57  0  0  0  0  0  0  0  0999 V2000
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    0.8305   -2.0874    0.4119 H   0  0  0  0  0
    0.2061   -1.5330   -1.1148 H   0  0  0  0  0
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   -2.1593   -1.2090    2.3043 H   0  0  0  0  0
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  1  6  1  0  0  0
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  2  3  1  0  0  0
  2 33  1  0  0  0
  2 34  1  0  0  0
  3  4  1  0  0  0
  3 35  1  0  0  0
  4  5  1  0  0  0
  4 36  1  0  0  0
  4 37  1  0  0  0
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  5 38  1  0  0  0
  5 39  1  0  0  0
  6 25  1  0  0  0
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  7  8  1  0  0  0
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M  END

>  <Chemical Name>
CHEMBL3596457

>  <PubChem CID>
24785190

>  <Formula>
C24H24F3NO2

>  <Molecular Weight>
415.456000

>  <IUPAC Name>
4-[[3-(furan-2-yl)-5-(trifluoromethyl)phenyl]methoxymethyl]-4-phenylpiperidine

>  <XlogP>
5.0

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
6

>  <Canonical SMILES>
C1CNCCC1(COCC2=CC(=CC(=C2)C3=CC=CO3)C(F)(F)F)C4=CC=CC=C4

>  <Isomeric SMILES>
C1CNCCC1(COCC2=CC(=CC(=C2)C3=CC=CO3)C(F)(F)F)C4=CC=CC=C4

>  <InChI Std. ID>
InChI=1S/C24H24F3NO2/c25-24(26,27)21-14-18(13-19(15-21)22-7-4-12-30-22)16-29-17-23(8-10-28-11-9-23)20-5-2-1-3-6-20/h1-7,12-15,28H,8-11,16-17H2

>  <InChI Key>
STYGRMVBZWGQRW-UHFFFAOYSA-N

