
 CHEMBL3596479

 59 62  0  0  0  0  0  0  0  0999 V2000
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M  CHG  2  22   1  24  -1
M  END

>  <Chemical Name>
CHEMBL3596479

>  <PubChem CID>
58993461

>  <Formula>
C26H25F3N2O3

>  <Molecular Weight>
470.492000

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

>  <XlogP>
5.7

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
7

>  <Canonical SMILES>
C1CNCCC1(COCC2=CC(=CC(=C2)C3=CC=C(C=C3)[N+](=O)[O-])C(F)(F)F)C4=CC=CC=C4

>  <Isomeric SMILES>
C1CNCCC1(COCC2=CC(=CC(=C2)C3=CC=C(C=C3)[N+](=O)[O-])C(F)(F)F)C4=CC=CC=C4

>  <InChI Std. ID>
InChI=1S/C26H25F3N2O3/c27-26(28,29)23-15-19(14-21(16-23)20-6-8-24(9-7-20)31(32)33)17-34-18-25(10-12-30-13-11-25)22-4-2-1-3-5-22/h1-9,14-16,30H,10-13,17-18H2

>  <InChI Key>
IERMTZRDHWBUPI-UHFFFAOYSA-N

