
 CHEMBL3596474

 57 60  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CHEMBL3596474

>  <PubChem CID>
24782912

>  <Formula>
C26H25ClF3NO

>  <Molecular Weight>
459.937000

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

>  <XlogP>
6.5

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
5

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

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

>  <InChI Std. ID>
InChI=1S/C26H25ClF3NO/c27-24-8-6-20(7-9-24)21-14-19(15-23(16-21)26(28,29)30)17-32-18-25(10-12-31-13-11-25)22-4-2-1-3-5-22/h1-9,14-16,31H,10-13,17-18H2

>  <InChI Key>
BGJRNIULMOQHMR-UHFFFAOYSA-N

