
 CHEMBL3596459

 63 67  0  0  0  0  0  0  0  0999 V2000
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    2.5770   -2.8101   -8.6464 C   0  0  0  0  0
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    1.4726    0.5794   -5.6662 H   0  0  0  0  0
    2.7972    0.2754   -3.0239 H   0  0  0  0  0
    3.5322    0.8276   -4.5586 H   0  0  0  0  0
    4.8839    0.3409   -1.7529 H   0  0  0  0  0
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    2.2320   -3.2401   -6.5918 H   0  0  0  0  0
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  1 37  1  0  0  0
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  3  4  1  0  0  0
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  6 30  1  0  0  0
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M  END

>  <Chemical Name>
CHEMBL3596459

>  <PubChem CID>
24783682

>  <Formula>
C30H28F3NO

>  <Molecular Weight>
475.555000

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

>  <XlogP>
7.1

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
C1CNCCC1(COCC2=CC(=CC(=C2)C3=CC4=CC=CC=C4C=C3)C(F)(F)F)C5=CC=CC=C5

>  <Isomeric SMILES>
C1CNCCC1(COCC2=CC(=CC(=C2)C3=CC4=CC=CC=C4C=C3)C(F)(F)F)C5=CC=CC=C5

>  <InChI Std. ID>
InChI=1S/C30H28F3NO/c31-30(32,33)28-17-22(16-26(19-28)25-11-10-23-6-4-5-7-24(23)18-25)20-35-21-29(12-14-34-15-13-29)27-8-2-1-3-9-27/h1-11,16-19,34H,12-15,20-21H2

>  <InChI Key>
HHTIYKWLSACTBN-UHFFFAOYSA-N

