
 SCHEMBL3308427

 50 53  0  0  0  0  0  0  0  0999 V2000
    0.1377    1.2927    1.4331 C   0  0  0  0  0
    1.3333    0.8881    0.6086 C   0  0  0  0  0
    1.7299    1.7281   -0.4476 C   0  0  0  0  0
    2.7939    1.3833   -1.2769 C   0  0  0  0  0
    3.4797    0.1931   -1.0605 C   0  0  0  0  0
    3.1182   -0.6533   -0.0006 C   0  0  0  0  0
    2.0398   -0.3168    0.8468 C   0  0  0  0  0
    1.6117   -1.2267    1.9197 C   0  0  0  0  0
    1.8079   -0.9567    3.2205 C   0  0  0  0  0
    1.4430   -1.8411    4.3291 C   0  0  0  0  0
    0.7580   -1.2430    5.5296 C   0  0  0  0  0
   -0.0126   -2.1243    4.5904 C   0  0  0  0  0
    3.9225   -1.8982    0.1229 C   0  0  0  0  0
    4.1282   -2.5866   -0.8700 O   0  0  0  0  0
    4.4604   -2.1704    1.3606 N   0  0  0  0  0
    5.2474   -3.3950    1.6241 C   0  0  0  0  0
    6.3918   -3.6001    0.5908 C   0  0  0  0  0
    7.5638   -3.9970    1.4343 C   0  0  0  0  0
    8.7993   -4.4447    0.9940 C   0  0  0  0  0
    9.7818   -4.7274    1.9441 C   0  0  0  0  0
    9.5203   -4.5554    3.3114 C   0  0  0  0  0
    8.2745   -4.0961    3.7440 C   0  0  0  0  0
    7.3050   -3.8217    2.7921 C   0  0  0  0  0
    5.9288   -3.2820    3.0218 C   0  0  0  0  0
    4.3346   -4.6412    1.6725 C   0  0  0  0  0
    4.6854   -5.8115    1.6389 O   0  0  0  0  0
    3.0319   -4.3613    1.9160 O   0  0  0  0  0
   -0.6362    0.5194    1.3885 H   0  0  0  0  0
   -0.3104    2.2206    1.0606 H   0  0  0  0  0
    0.4264    1.4689    2.4736 H   0  0  0  0  0
    1.1943    2.6555   -0.6428 H   0  0  0  0  0
    3.0801    2.0351   -2.0984 H   0  0  0  0  0
    4.3016   -0.0811   -1.7200 H   0  0  0  0  0
    1.1563   -2.1621    1.6031 H   0  0  0  0  0
    2.2925   -0.0212    3.4975 H   0  0  0  0  0
    2.1456   -2.6492    4.5121 H   0  0  0  0  0
    0.5238   -0.1843    5.5321 H   0  0  0  0  0
    1.0094   -1.6402    6.5066 H   0  0  0  0  0
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   -0.7609   -1.6596    3.9580 H   0  0  0  0  0
    4.0979   -1.6625    2.1556 H   0  0  0  0  0
    6.6437   -2.6696    0.0691 H   0  0  0  0  0
    6.1586   -4.3772   -0.1447 H   0  0  0  0  0
    9.0028   -4.5707   -0.0650 H   0  0  0  0  0
   10.7584   -5.0803    1.6220 H   0  0  0  0  0
   10.2971   -4.7779    4.0386 H   0  0  0  0  0
    8.0783   -3.9561    4.8020 H   0  0  0  0  0
    6.0072   -2.2399    3.3528 H   0  0  0  0  0
    5.4066   -3.8603    3.7923 H   0  0  0  0  0
    2.6120   -5.2469    1.9269 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
  2  3  2  0  0  0
  3  4  1  0  0  0
  3 31  1  0  0  0
  4  5  2  0  0  0
  4 32  1  0  0  0
  5  6  1  0  0  0
  5 33  1  0  0  0
  6  7  2  0  0  0
  6 13  1  0  0  0
  7  8  1  0  0  0
  8  9  2  0  0  0
  8 34  1  0  0  0
  9 10  1  0  0  0
  9 35  1  0  0  0
 10 12  1  0  0  0
 10 11  1  0  0  0
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 13 15  1  0  0  0
 13 14  2  0  0  0
 15 16  1  0  0  0
 15 41  1  0  0  0
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 22 23  2  0  0  0
 22 47  1  0  0  0
 23 24  1  0  0  0
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 25 26  2  0  0  0
 27 50  1  0  0  0
M  END

>  <Chemical Name>
SCHEMBL3308427

>  <PubChem CID>
25160796

>  <Formula>
C23H23NO3

>  <Molecular Weight>
361.441000

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

>  <XlogP>
4.6

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
CC1=CC=CC(=C1C=CC2CC2)C(=O)NC3(CC4=CC=CC=C4C3)C(=O)O

>  <Isomeric SMILES>
CC1=CC=CC(=C1/C=C/C2CC2)C(=O)NC3(CC4=CC=CC=C4C3)C(=O)O

>  <InChI Std. ID>
InChI=1S/C23H23NO3/c1-15-5-4-8-20(19(15)12-11-16-9-10-16)21(25)24-23(22(26)27)13-17-6-2-3-7-18(17)14-23/h2-8,11-12,16H,9-10,13-14H2,1H3,(H,24,25)(H,26,27)/b12-11+

>  <InChI Key>
MCKNHMQFPZQZNR-VAWYXSNFSA-N

