
 CHEMBL438092

 59 63  0  0  0  0  0  0  0  0999 V2000
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    0.5487   -7.3976    0.2044 H   0  0  0  0  0
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   -3.9249   -6.8674   -1.8784 H   0  0  0  0  0
  1  5  1  0  0  0
  1  2  1  0  0  0
  1 35  1  0  0  0
  1 36  1  0  0  0
  2  3  1  0  0  0
  2 37  1  0  0  0
  2 38  1  0  0  0
  3  4  1  0  0  0
  3 18  1  0  0  0
  3 39  1  0  0  0
  4  5  1  0  0  0
  4  6  1  0  0  0
  5 40  1  0  0  0
  5 41  1  0  0  0
  6  7  1  0  0  0
  6 42  1  0  0  0
  6 43  1  0  0  0
  7  8  2  0  0  0
  7 12  1  0  0  0
  8  9  1  0  0  0
  8 44  1  0  0  0
  9 10  2  0  0  0
  9 13  1  0  0  0
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 33 58  1  0  0  0
 34 59  1  0  0  0
M  CHG  1  17  -1
M  END

>  <Chemical Name>
CHEMBL438092

>  <PubChem CID>
91936165

>  <Formula>
C28H25N2O4-

>  <Molecular Weight>
453.518000

>  <IUPAC Name>
2-[3-[[(2S)-2-(4,5-diphenyl-1,3-oxazol-2-yl)pyrrolidin-1-yl]methyl]phenoxy]acetate

>  <XlogP>
3.5

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
6

>  <Canonical SMILES>
C1CC(N(C1)CC2=CC(=CC=C2)OCC(=O)[O-])C3=NC(=C(O3)C4=CC=CC=C4)C5=CC=CC=C5

>  <Isomeric SMILES>
C1C[C@H](N(C1)CC2=CC(=CC=C2)OCC(=O)[O-])C3=NC(=C(O3)C4=CC=CC=C4)C5=CC=CC=C5

>  <InChI Std. ID>
InChI=1S/C28H26N2O4/c31-25(32)19-33-23-14-7-9-20(17-23)18-30-16-8-15-24(30)28-29-26(21-10-3-1-4-11-21)27(34-28)22-12-5-2-6-13-22/h1-7,9-14,17,24H,8,15-16,18-19H2,(H,31,32)/p-1/t24-/m0/s1

>  <InChI Key>
WVTUDMXKOFCUFN-DEOSSOPVSA-M

