
 SCHEMBL3308951

 52 54  0  0  0  0  0  0  0  0999 V2000
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    5.5500    0.5227    1.1377 C   0  0  0  0  0
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    5.6362    5.0065    0.5680 C   0  0  0  0  0
    6.7501    5.6902    1.0419 C   0  0  0  0  0
    7.3831    5.2431    2.1930 C   0  0  0  0  0
    6.9259    4.0924    2.8566 C   0  0  0  0  0
    7.6614    3.6470    4.0961 C   0  0  0  0  0
    3.8796    3.3421    0.6712 C   0  0  0  0  0
    3.7223    3.2893   -0.5431 O   0  0  0  0  0
    2.9043    3.0241    1.5779 N   0  0  0  0  0
    1.5361    2.6060    1.2108 C   0  0  0  0  0
    0.7599    3.7365    0.4860 C   0  0  0  0  0
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    1.4730    2.6371    3.6390 O   0  0  0  0  0
    7.2663    0.1262   -0.0893 H   0  0  0  0  0
    7.4883   -0.3457    1.5956 H   0  0  0  0  0
    7.5544    1.3686    1.1329 H   0  0  0  0  0
    5.1016   -0.4569    0.9261 H   0  0  0  0  0
    5.1660    1.1872    0.3624 H   0  0  0  0  0
    3.9846    1.0300    2.5308 H   0  0  0  0  0
    6.5372   -0.1227    3.7184 H   0  0  0  0  0
    5.0723   -1.0561    3.3232 H   0  0  0  0  0
    5.0407    0.2173    4.5615 H   0  0  0  0  0
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    8.1781    4.4903    4.5681 H   0  0  0  0  0
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    1.4205    4.4304   -0.0441 H   0  0  0  0  0
    0.1244    4.3087    1.1704 H   0  0  0  0  0
   -1.4075    4.5202   -1.2110 H   0  0  0  0  0
   -2.5365    2.9899   -2.8137 H   0  0  0  0  0
   -1.8053    0.6309   -3.0195 H   0  0  0  0  0
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    0.8534    2.4080    4.3658 H   0  0  0  0  0
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M  END

>  <Chemical Name>
SCHEMBL3308951

>  <PubChem CID>
25160281

>  <Formula>
C22H25NO4

>  <Molecular Weight>
367.445000

>  <IUPAC Name>
2-[(2-butan-2-yloxy-3-methylbenzoyl)amino]-1,3-dihydroindene-2-carboxylic acid

>  <XlogP>
4.3

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
CCC(C)OC1=C(C=CC=C1C)C(=O)NC2(CC3=CC=CC=C3C2)C(=O)O

>  <Isomeric SMILES>
CCC(C)OC1=C(C=CC=C1C)C(=O)NC2(CC3=CC=CC=C3C2)C(=O)O

>  <InChI Std. ID>
InChI=1S/C22H25NO4/c1-4-15(3)27-19-14(2)8-7-11-18(19)20(24)23-22(21(25)26)12-16-9-5-6-10-17(16)13-22/h5-11,15H,4,12-13H2,1-3H3,(H,23,24)(H,25,26)

>  <InChI Key>
VEICCNMVJHBRAF-UHFFFAOYSA-N

