
 CHEMBL296633

 54 57  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CHEMBL296633

>  <PubChem CID>
44292836

>  <Formula>
C23H26FNO3

>  <Molecular Weight>
383.463000

>  <IUPAC Name>
1-azabicyclo[2.2.2]octan-3-yl (2S)-2-[4-(2-fluoroethyl)phenyl]-2-hydroxy-2-phenylacetate

>  <XlogP>
3.9

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
C1CN2CCC1C(C2)OC(=O)C(C3=CC=CC=C3)(C4=CC=C(C=C4)CCF)O

>  <Isomeric SMILES>
C1CN2CCC1C(C2)OC(=O)[C@](C3=CC=CC=C3)(C4=CC=C(C=C4)CCF)O

>  <InChI Std. ID>
InChI=1S/C23H26FNO3/c24-13-10-17-6-8-20(9-7-17)23(27,19-4-2-1-3-5-19)22(26)28-21-16-25-14-11-18(21)12-15-25/h1-9,18,21,27H,10-16H2/t21?,23-/m0/s1

>  <InChI Key>
AXYNUUVRRMNNRY-YANBTOMASA-N

