
 CHEMBL2093910

 53 55  0  0  0  0  0  0  0  0999 V2000
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    6.4183   -5.7809    1.8727 H   0  0  0  0  0
    5.8382   -6.9147    3.1542 H   0  0  0  0  0
    3.4800   -6.6562    2.3067 H   0  0  0  0  0
    4.0704   -5.5713    1.0124 H   0  0  0  0  0
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    0.4231   -3.0201   -5.9366 H   0  0  0  0  0
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  3 34  1  0  0  0
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  4  5  2  0  0  0
  4  8  1  0  0  0
  5  6  1  0  0  0
  6  7  2  0  0  0
  6 36  1  0  0  0
  7  8  1  0  0  0
  7 37  1  0  0  0
  8  9  1  0  0  0
  9 10  1  0  0  0
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  9 39  1  0  0  0
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M  END

>  <Chemical Name>
CHEMBL2093910

>  <PubChem CID>
70682918

>  <Formula>
C23H25ClN2O2

>  <Molecular Weight>
396.915000

>  <IUPAC Name>
(5R)-3,3-diphenyl-5-[(2-propylimidazol-1-yl)methyl]oxolan-2-one;hydrochloride

>  <XlogP>
-10000

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
CCCC1=NC=CN1CC2CC(C(=O)O2)(C3=CC=CC=C3)C4=CC=CC=C4.Cl

>  <Isomeric SMILES>
CCCC1=NC=CN1C[C@H]2CC(C(=O)O2)(C3=CC=CC=C3)C4=CC=CC=C4.Cl

>  <InChI Std. ID>
InChI=1S/C23H24N2O2.ClH/c1-2-9-21-24-14-15-25(21)17-20-16-23(22(26)27-20,18-10-5-3-6-11-18)19-12-7-4-8-13-19;/h3-8,10-15,20H,2,9,16-17H2,1H3;1H/t20-;/m1./s1

>  <InChI Key>
AQURUXQWWLFPRV-VEIFNGETSA-N

