
 SCHEMBL3309912

 51 53  0  0  0  0  0  0  0  0999 V2000
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    2.5296    3.2285    1.2754 C   0  0  0  0  0
    3.4524    4.2450    0.9683 C   0  0  0  0  0
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   -1.0875    0.0850    0.1232 C   0  0  0  0  0
   -0.9696    2.5820   -0.0698 C   0  0  0  0  0
    2.5315    1.4524   -2.1483 C   0  0  0  0  0
    2.4972    1.8994   -3.2894 O   0  0  0  0  0
    2.4014    0.1177   -1.8635 N   0  0  0  0  0
    2.1194   -0.9398   -2.8555 C   0  0  0  0  0
    0.9153   -0.6267   -3.7901 C   0  0  0  0  0
    1.4096   -1.0647   -5.1375 C   0  0  0  0  0
    2.7609   -1.4167   -5.1057 C   0  0  0  0  0
    3.3542   -1.2323   -3.7447 C   0  0  0  0  0
    3.4163   -1.8344   -6.2535 C   0  0  0  0  0
    2.6895   -1.8874   -7.4384 C   0  0  0  0  0
    1.3396   -1.5260   -7.4836 C   0  0  0  0  0
    0.6871   -1.1078   -6.3220 C   0  0  0  0  0
    3.2993   -2.2844   -8.5638 F   0  0  0  0  0
    1.7918   -2.2250   -2.0615 C   0  0  0  0  0
    1.3735   -3.2841   -2.5009 O   0  0  0  0  0
    2.0703   -2.1289   -0.7354 O   0  0  0  0  0
    2.2618    2.2588    3.1719 H   0  0  0  0  0
    0.8929    3.3066    2.6736 H   0  0  0  0  0
    2.3824    4.0132    3.2909 H   0  0  0  0  0
    3.7357    4.9774    1.7225 H   0  0  0  0  0
    4.7092    5.1481   -0.5277 H   0  0  0  0  0
    4.1201    3.5025   -2.2613 H   0  0  0  0  0
    0.7710    1.3290    1.6582 H   0  0  0  0  0
    1.5488    0.2519    0.5844 H   0  0  0  0  0
    0.0450    1.1801   -1.3082 H   0  0  0  0  0
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    0.6544    0.4344   -3.8286 H   0  0  0  0  0
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    4.0586   -0.3939   -3.7662 H   0  0  0  0  0
    3.8889   -2.1357   -3.4313 H   0  0  0  0  0
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    1.8300   -3.0167   -0.3908 H   0  0  0  0  0
  1  2  1  0  0  0
  1 28  1  0  0  0
  1 29  1  0  0  0
  1 30  1  0  0  0
  2  7  1  0  0  0
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M  END

>  <Chemical Name>
SCHEMBL3309912

>  <PubChem CID>
25160669

>  <Formula>
C22H24FNO3

>  <Molecular Weight>
369.436000

>  <IUPAC Name>
5-fluoro-2-[[3-methyl-2-(2-methylpropyl)benzoyl]amino]-1,3-dihydroindene-2-carboxylic acid

>  <XlogP>
4.7

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
CC1=CC=CC(=C1CC(C)C)C(=O)NC2(CC3=C(C2)C=C(C=C3)F)C(=O)O

>  <Isomeric SMILES>
CC1=CC=CC(=C1CC(C)C)C(=O)NC2(CC3=C(C2)C=C(C=C3)F)C(=O)O

>  <InChI Std. ID>
InChI=1S/C22H24FNO3/c1-13(2)9-19-14(3)5-4-6-18(19)20(25)24-22(21(26)27)11-15-7-8-17(23)10-16(15)12-22/h4-8,10,13H,9,11-12H2,1-3H3,(H,24,25)(H,26,27)

>  <InChI Key>
MSOVLVYBZYSIEE-UHFFFAOYSA-N

