
 SCHEMBL5912478

 61 63  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
SCHEMBL5912478

>  <PubChem CID>
23071856

>  <Formula>
C24H31FN2O3

>  <Molecular Weight>
414.521000

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

>  <XlogP>
5.2

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
4

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

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

>  <InChI Std. ID>
InChI=1S/C24H31FN2O3/c1-3-18(4-2)17-24(29)12-14-27(15-13-24)23(28)26-20-6-5-7-22(16-20)30-21-10-8-19(25)9-11-21/h5-11,16,18,29H,3-4,12-15,17H2,1-2H3,(H,26,28)

>  <InChI Key>
QDTNDGDKXXSUJU-UHFFFAOYSA-N

