
 CHEMBL3596481

 58 61  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CHEMBL3596481

>  <PubChem CID>
24784193

>  <Formula>
C26H26F3NO2

>  <Molecular Weight>
441.494000

>  <IUPAC Name>
4-[3-[(4-phenylpiperidin-4-yl)methoxymethyl]-5-(trifluoromethyl)phenyl]phenol

>  <XlogP>
5.5

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
6

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

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

>  <InChI Std. ID>
InChI=1S/C26H26F3NO2/c27-26(28,29)23-15-19(14-21(16-23)20-6-8-24(31)9-7-20)17-32-18-25(10-12-30-13-11-25)22-4-2-1-3-5-22/h1-9,14-16,30-31H,10-13,17-18H2

>  <InChI Key>
ZESAIGASSACQRV-UHFFFAOYSA-N

