
 CHEMBL3401379

 72 75  0  0  0  0  0  0  0  0999 V2000
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    6.8734    4.7043   -0.5973 H   0  0  0  0  0
    6.2817    8.3153   -1.0519 H   0  0  0  0  0
   10.4305    9.1984   -1.4914 H   0  0  0  0  0
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M  END

>  <Chemical Name>
CHEMBL3401379

>  <PubChem CID>
118728428

>  <Formula>
C30H34F2N2O4

>  <Molecular Weight>
524.609000

>  <IUPAC Name>
N-[3,5-bis(4-fluorophenoxy)phenyl]-4-(2-ethylbutyl)-4-hydroxypiperidine-1-carboxamide

>  <XlogP>
6.8

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
6

>  <Canonical SMILES>
CCC(CC)CC1(CCN(CC1)C(=O)NC2=CC(=CC(=C2)OC3=CC=C(C=C3)F)OC4=CC=C(C=C4)F)O

>  <Isomeric SMILES>
CCC(CC)CC1(CCN(CC1)C(=O)NC2=CC(=CC(=C2)OC3=CC=C(C=C3)F)OC4=CC=C(C=C4)F)O

>  <InChI Std. ID>
InChI=1S/C30H34F2N2O4/c1-3-21(4-2)20-30(36)13-15-34(16-14-30)29(35)33-24-17-27(37-25-9-5-22(31)6-10-25)19-28(18-24)38-26-11-7-23(32)8-12-26/h5-12,17-19,21,36H,3-4,13-16,20H2,1-2H3,(H,33,35)

>  <InChI Key>
CLTJXNBVCMJRPD-UHFFFAOYSA-N

