
 SCHEMBL3307711

 49 51  0  0  0  0  0  0  0  0999 V2000
    2.9403    0.9689   -3.4523 C   0  0  0  0  0
    3.6538    0.7312   -2.1446 C   0  0  0  0  0
    4.4719    1.7522   -1.6342 C   0  0  0  0  0
    5.1286    1.5968   -0.4183 C   0  0  0  0  0
    4.9804    0.4146    0.3010 C   0  0  0  0  0
    4.1758   -0.6319   -0.1843 C   0  0  0  0  0
    3.4889   -0.4723   -1.4115 C   0  0  0  0  0
    2.5637   -1.4844   -1.9519 C   0  0  0  0  0
    1.2518   -1.5761   -1.6620 C   0  0  0  0  0
    0.5084   -0.6666   -0.7219 C   0  0  0  0  0
    0.4000   -2.6364   -2.3060 C   0  0  0  0  0
    4.1066   -1.8429    0.6942 C   0  0  0  0  0
    4.2768   -1.7301    1.9047 O   0  0  0  0  0
    3.9352   -3.0597    0.0769 N   0  0  0  0  0
    3.9643   -4.3551    0.8000 C   0  0  0  0  0
    3.0070   -4.4091    2.0281 C   0  0  0  0  0
    1.7142   -4.8371    1.3942 C   0  0  0  0  0
    1.9508   -5.4382    0.1550 C   0  0  0  0  0
    3.4146   -5.4624   -0.1552 C   0  0  0  0  0
    0.9024   -5.9294   -0.5961 C   0  0  0  0  0
   -0.3932   -5.7999   -0.1038 C   0  0  0  0  0
   -0.6353   -5.1946    1.1358 C   0  0  0  0  0
    0.4295   -4.7127    1.9020 C   0  0  0  0  0
   -1.4320   -6.2437   -0.8257 F   0  0  0  0  0
    1.1309   -6.4973   -1.7873 F   0  0  0  0  0
    5.3964   -4.7534    1.1789 C   0  0  0  0  0
    5.7227   -5.6529    1.9403 O   0  0  0  0  0
    6.3516   -4.1101    0.4683 O   0  0  0  0  0
    3.1427    0.1545   -4.1555 H   0  0  0  0  0
    3.2773    1.8954   -3.9296 H   0  0  0  0  0
    1.8616    1.0545   -3.2870 H   0  0  0  0  0
    4.5932    2.6850   -2.1816 H   0  0  0  0  0
    5.7516    2.3972   -0.0274 H   0  0  0  0  0
    5.4977    0.3090    1.2538 H   0  0  0  0  0
    3.0134   -2.1662   -2.6707 H   0  0  0  0  0
    1.1312    0.1303   -0.3071 H   0  0  0  0  0
    0.1042   -1.2424    0.1170 H   0  0  0  0  0
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    0.9973   -3.3692   -2.8589 H   0  0  0  0  0
   -0.3077   -2.1797   -3.0050 H   0  0  0  0  0
   -0.1697   -3.1784   -1.5463 H   0  0  0  0  0
    4.1942   -3.0901   -0.8996 H   0  0  0  0  0
    2.8803   -3.4602    2.5503 H   0  0  0  0  0
    3.3128   -5.1696    2.7557 H   0  0  0  0  0
    3.6059   -5.2367   -1.2098 H   0  0  0  0  0
    3.8182   -6.4543    0.0789 H   0  0  0  0  0
   -1.6567   -5.1020    1.4926 H   0  0  0  0  0
    0.2517   -4.2429    2.8652 H   0  0  0  0  0
    7.1915   -4.4766    0.8161 H   0  0  0  0  0
  1  2  1  0  0  0
  1 29  1  0  0  0
  1 30  1  0  0  0
  1 31  1  0  0  0
  2  7  1  0  0  0
  2  3  2  0  0  0
  3  4  1  0  0  0
  3 32  1  0  0  0
  4  5  2  0  0  0
  4 33  1  0  0  0
  5  6  1  0  0  0
  5 34  1  0  0  0
  6  7  2  0  0  0
  6 12  1  0  0  0
  7  8  1  0  0  0
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  8 35  1  0  0  0
  9 11  1  0  0  0
  9 10  1  0  0  0
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 12 14  1  0  0  0
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 14 15  1  0  0  0
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 15 19  1  0  0  0
 15 16  1  0  0  0
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 20 21  2  0  0  0
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 28 49  1  0  0  0
M  END

>  <Chemical Name>
SCHEMBL3307711

>  <PubChem CID>
25102804

>  <Formula>
C22H21F2NO3

>  <Molecular Weight>
385.411000

>  <IUPAC Name>
4,5-difluoro-2-[[3-methyl-2-(2-methylprop-1-enyl)benzoyl]amino]-1,3-dihydroindene-2-carboxylic acid

>  <XlogP>
4.8

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
CC1=CC=CC(=C1C=C(C)C)C(=O)NC2(CC3=C(C2)C(=C(C=C3)F)F)C(=O)O

>  <Isomeric SMILES>
CC1=CC=CC(=C1C=C(C)C)C(=O)NC2(CC3=C(C2)C(=C(C=C3)F)F)C(=O)O

>  <InChI Std. ID>
InChI=1S/C22H21F2NO3/c1-12(2)9-16-13(3)5-4-6-15(16)20(26)25-22(21(27)28)10-14-7-8-18(23)19(24)17(14)11-22/h4-9H,10-11H2,1-3H3,(H,25,26)(H,27,28)

>  <InChI Key>
BMBSLTRHUKLFAS-UHFFFAOYSA-N

