
 CHEMBL3596469

 59 62  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CHEMBL3596469

>  <PubChem CID>
24782656

>  <Formula>
C26H27F3N2O

>  <Molecular Weight>
440.510000

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

>  <XlogP>
5.2

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
6

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

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

>  <InChI Std. ID>
InChI=1S/C26H27F3N2O/c27-26(28,29)23-14-19(13-21(15-23)20-5-4-8-24(30)16-20)17-32-18-25(9-11-31-12-10-25)22-6-2-1-3-7-22/h1-8,13-16,31H,9-12,17-18,30H2

>  <InChI Key>
VZJOKDIQHUXBEA-UHFFFAOYSA-N

