
 SCHEMBL4536874

 49 51  0  0  0  0  0  0  0  0999 V2000
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    2.4969   -0.3231    2.0411 O   0  0  0  0  0
    2.7945    0.8539    1.4015 C   0  0  0  0  0
    4.0415    0.9067    0.7235 C   0  0  0  0  0
    4.3906    2.0916    0.0291 C   0  0  0  0  0
    3.5094    3.1799    0.0345 C   0  0  0  0  0
    2.3053    3.1272    0.7236 C   0  0  0  0  0
    1.9466    1.9683    1.4060 C   0  0  0  0  0
    3.7851    4.3090   -0.6333 F   0  0  0  0  0
    5.5847    2.0649   -0.6480 O   0  0  0  0  0
    6.1923    3.3172   -0.9447 C   0  0  0  0  0
    5.0120   -0.2742    0.7355 C   0  0  0  0  0
    5.4034   -0.7370    2.1447 C   0  0  0  0  0
    5.2044   -2.2455    2.1561 C   0  0  0  0  0
    4.5626   -2.5862    0.8192 C   0  0  0  0  0
    4.2847   -3.7261    0.4700 O   0  0  0  0  0
    4.4816   -1.4377    0.0514 N   0  0  0  0  0
    4.3968   -1.5029   -1.4007 C   0  0  0  0  0
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    5.9889   -3.3077   -2.1755 C   0  0  0  0  0
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    9.4717   -3.3605   -3.1518 O   0  0  0  0  0
   10.6224   -2.6132   -2.7907 C   0  0  0  0  0
   11.6621   -3.4670   -2.6496 F   0  0  0  0  0
   10.9315   -1.7311   -3.7653 F   0  0  0  0  0
   10.4700   -1.9528   -1.6223 F   0  0  0  0  0
    6.4645   -2.8919    2.2962 O   0  0  0  0  0
    1.1517   -1.4480    3.0882 H   0  0  0  0  0
    0.4164   -0.3475    1.9149 H   0  0  0  0  0
    1.0995    0.2753    3.4684 H   0  0  0  0  0
    1.6468    3.9904    0.7148 H   0  0  0  0  0
    0.9952    1.9665    1.9283 H   0  0  0  0  0
    5.6866    3.8080   -1.7810 H   0  0  0  0  0
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    6.4415   -0.4550    2.3612 H   0  0  0  0  0
    4.5494   -2.5588    2.9737 H   0  0  0  0  0
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    3.6168   -2.2271   -1.6692 H   0  0  0  0  0
    5.2329   -4.0515   -1.9287 H   0  0  0  0  0
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    8.7285   -0.6959   -2.9980 H   0  0  0  0  0
    6.5217    0.0502   -2.2510 H   0  0  0  0  0
    6.3312   -3.8080    1.9841 H   0  0  0  0  0
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M  END

>  <Chemical Name>
SCHEMBL4536874

>  <PubChem CID>
69082809

>  <Formula>
C20H19F4NO5

>  <Molecular Weight>
429.368000

>  <IUPAC Name>
(3R,5S)-5-(3-fluoro-2,6-dimethoxyphenyl)-3-hydroxy-1-[[4-(trifluoromethoxy)phenyl]methyl]pyrrolidin-2-one

>  <XlogP>
3.5

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
9

>  <Canonical SMILES>
COC1=C(C(=C(C=C1)F)OC)C2CC(C(=O)N2CC3=CC=C(C=C3)OC(F)(F)F)O

>  <Isomeric SMILES>
COC1=C(C(=C(C=C1)F)OC)[C@@H]2C[C@H](C(=O)N2CC3=CC=C(C=C3)OC(F)(F)F)O

>  <InChI Std. ID>
InChI=1S/C20H19F4NO5/c1-28-16-8-7-13(21)18(29-2)17(16)14-9-15(26)19(27)25(14)10-11-3-5-12(6-4-11)30-20(22,23)24/h3-8,14-15,26H,9-10H2,1-2H3/t14-,15+/m0/s1

>  <InChI Key>
ABDGJWRUQFAYLS-LSDHHAIUSA-N

