
 SCHEMBL3307348

 57 59  0  0  0  0  0  0  0  0999 V2000
    7.2370    1.7170   -3.7482 C   0  0  0  0  0
    7.0170    1.6332   -2.2444 C   0  0  0  0  0
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    4.4275    3.5928    0.5633 C   0  0  0  0  0
    4.5511    4.6324    1.5101 C   0  0  0  0  0
    5.6822    4.7567    2.2990 C   0  0  0  0  0
    6.7206    3.8562    2.1336 C   0  0  0  0  0
    6.6362    2.7863    1.2168 C   0  0  0  0  0
    7.8594    1.9061    1.1744 C   0  0  0  0  0
    3.1730    3.6524   -0.2833 C   0  0  0  0  0
    2.5768    2.6607   -0.6754 O   0  0  0  0  0
    2.7513    4.9361   -0.6028 N   0  0  0  0  0
    1.5903    5.2045   -1.4914 C   0  0  0  0  0
    0.2807    4.4974   -1.0280 C   0  0  0  0  0
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   -2.2298    6.6039    0.9428 C   0  0  0  0  0
   -1.6690    7.8666    0.6995 C   0  0  0  0  0
   -0.5102    7.9907   -0.0719 C   0  0  0  0  0
    0.0742    6.8408   -0.5795 C   0  0  0  0  0
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    1.9173    4.8518   -2.9528 C   0  0  0  0  0
    1.1250    4.7915   -3.8830 O   0  0  0  0  0
    3.2407    4.7377   -3.2117 O   0  0  0  0  0
    8.3048    1.8203   -3.9671 H   0  0  0  0  0
    6.7168    2.5795   -4.1760 H   0  0  0  0  0
    6.8763    0.8122   -4.2478 H   0  0  0  0  0
    7.4448    2.5287   -1.7823 H   0  0  0  0  0
    7.5629    0.7613   -1.8704 H   0  0  0  0  0
    5.1117    0.6739   -2.4496 H   0  0  0  0  0
    5.0172    2.4147   -2.2748 H   0  0  0  0  0
    4.1122    1.1709   -0.3771 H   0  0  0  0  0
    6.7568   -0.1486    0.1331 H   0  0  0  0  0
    5.2981   -0.8250   -0.5228 H   0  0  0  0  0
    5.5227    0.3470    2.2975 H   0  0  0  0  0
    5.4562   -1.3580    1.8494 H   0  0  0  0  0
    4.0509   -0.3176    1.5722 H   0  0  0  0  0
    3.7438    5.3471    1.6599 H   0  0  0  0  0
    5.7586    5.5550    3.0316 H   0  0  0  0  0
    7.6134    3.9801    2.7460 H   0  0  0  0  0
    8.0649    1.5283    0.1760 H   0  0  0  0  0
    7.7643    1.0764    1.8795 H   0  0  0  0  0
    8.7565    2.4742    1.4504 H   0  0  0  0  0
    3.4757    5.6427   -0.5944 H   0  0  0  0  0
    0.4490    3.6792   -0.3238 H   0  0  0  0  0
   -0.3127    4.1233   -1.8691 H   0  0  0  0  0
   -2.0778    4.4766    0.5971 H   0  0  0  0  0
   -3.1368    6.5220    1.5365 H   0  0  0  0  0
   -2.1490    8.7536    1.1037 H   0  0  0  0  0
   -0.0895    8.9713   -0.2731 H   0  0  0  0  0
    2.1020    7.3288   -1.0669 H   0  0  0  0  0
    1.0118    7.1264   -2.4612 H   0  0  0  0  0
    3.2693    4.5021   -4.1629 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  3  1  0  0  0
  2 32  1  0  0  0
  2 33  1  0  0  0
  3  4  1  0  0  0
  3 34  1  0  0  0
  3 35  1  0  0  0
  4  7  1  0  0  0
  4  5  1  0  0  0
  4 36  1  0  0  0
  5  6  1  0  0  0
  5 37  1  0  0  0
  5 38  1  0  0  0
  6 39  1  0  0  0
  6 40  1  0  0  0
  6 41  1  0  0  0
  7  8  2  0  0  0
  7 12  1  0  0  0
  8  9  1  0  0  0
  8 14  1  0  0  0
  9 10  2  0  0  0
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M  END

>  <Chemical Name>
SCHEMBL3307348

>  <PubChem CID>
25160412

>  <Formula>
C24H29NO3

>  <Molecular Weight>
379.500000

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

>  <XlogP>
5.8

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
CCCC(CC)C1=C(C=CC=C1C)C(=O)NC2(CC3=CC=CC=C3C2)C(=O)O

>  <Isomeric SMILES>
CCCC(CC)C1=C(C=CC=C1C)C(=O)NC2(CC3=CC=CC=C3C2)C(=O)O

>  <InChI Std. ID>
InChI=1S/C24H29NO3/c1-4-9-17(5-2)21-16(3)10-8-13-20(21)22(26)25-24(23(27)28)14-18-11-6-7-12-19(18)15-24/h6-8,10-13,17H,4-5,9,14-15H2,1-3H3,(H,25,26)(H,27,28)

>  <InChI Key>
RXQPOEOJKHCXBJ-UHFFFAOYSA-N

