
 SCHEMBL3310286

 50 53  0  0  0  0  0  0  0  0999 V2000
    1.5349    3.7332    0.0686 C   0  0  0  0  0
    1.8976    2.2918   -0.1917 C   0  0  0  0  0
    2.2040    1.9122   -1.5086 C   0  0  0  0  0
    2.5209    0.5935   -1.8130 C   0  0  0  0  0
    2.5458   -0.3636   -0.8020 C   0  0  0  0  0
    2.2643   -0.0141    0.5335 C   0  0  0  0  0
    1.9098    1.3201    0.8436 C   0  0  0  0  0
    1.5681    1.7439    2.2028 C   0  0  0  0  0
    2.4260    2.1980    3.1245 C   0  0  0  0  0
    1.7206    2.5558    4.3902 C   0  0  0  0  0
    0.2465    2.5528    3.9823 C   0  0  0  0  0
    0.1550    1.7321    2.6955 C   0  0  0  0  0
    2.3166   -1.1018    1.5697 C   0  0  0  0  0
    1.5383   -1.1411    2.5133 O   0  0  0  0  0
    3.2788   -2.0671    1.3648 N   0  0  0  0  0
    3.4994   -3.2579    2.2129 C   0  0  0  0  0
    3.9908   -2.9039    3.6386 C   0  0  0  0  0
    3.4425   -4.0404    4.4510 C   0  0  0  0  0
    3.7997   -4.4124    5.7365 C   0  0  0  0  0
    3.1553   -5.5093    6.3126 C   0  0  0  0  0
    2.1601   -6.2048    5.6087 C   0  0  0  0  0
    1.7987   -5.8159    4.3172 C   0  0  0  0  0
    2.4552   -4.7377    3.7471 C   0  0  0  0  0
    2.2421   -4.1524    2.3811 C   0  0  0  0  0
    4.5963   -4.1043    1.5117 C   0  0  0  0  0
    5.0743   -5.1672    1.8738 O   0  0  0  0  0
    5.0468   -3.5532    0.3534 O   0  0  0  0  0
    0.4812    3.8148    0.3529 H   0  0  0  0  0
    1.6837    4.3503   -0.8244 H   0  0  0  0  0
    2.1648    4.1586    0.8558 H   0  0  0  0  0
    2.1849    2.6475   -2.3109 H   0  0  0  0  0
    2.7378    0.3097   -2.8397 H   0  0  0  0  0
    2.7599   -1.3933   -1.0775 H   0  0  0  0  0
    3.4951    2.2863    2.9932 H   0  0  0  0  0
    1.9262    1.8114    5.1657 H   0  0  0  0  0
    2.0212    3.5422    4.7563 H   0  0  0  0  0
   -0.0880    3.5807    3.7898 H   0  0  0  0  0
   -0.3961    2.1492    4.7719 H   0  0  0  0  0
   -0.5432    2.1946    1.9907 H   0  0  0  0  0
   -0.1865    0.7140    2.9050 H   0  0  0  0  0
    3.9680   -1.9386    0.6305 H   0  0  0  0  0
    3.5728   -1.9613    4.0064 H   0  0  0  0  0
    5.0833   -2.8610    3.7021 H   0  0  0  0  0
    4.5659   -3.8736    6.2844 H   0  0  0  0  0
    3.4251   -5.8277    7.3164 H   0  0  0  0  0
    1.6665   -7.0542    6.0743 H   0  0  0  0  0
    1.0266   -6.3527    3.7756 H   0  0  0  0  0
    1.3052   -3.5886    2.3758 H   0  0  0  0  0
    2.1867   -4.9371    1.6190 H   0  0  0  0  0
    5.7063   -4.2137    0.0455 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 12  1  0  0  0
  9 10  1  0  0  0
  9 34  1  0  0  0
 10 11  1  0  0  0
 10 35  1  0  0  0
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 13 15  1  0  0  0
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 15 16  1  0  0  0
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 27 50  1  0  0  0
M  END

>  <Chemical Name>
SCHEMBL3310286

>  <PubChem CID>
25159486

>  <Formula>
C23H23NO3

>  <Molecular Weight>
361.441000

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

>  <XlogP>
4.2

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
CC1=CC=CC(=C1C2=CCCC2)C(=O)NC3(CC4=CC=CC=C4C3)C(=O)O

>  <Isomeric SMILES>
CC1=CC=CC(=C1C2=CCCC2)C(=O)NC3(CC4=CC=CC=C4C3)C(=O)O

>  <InChI Std. ID>
InChI=1S/C23H23NO3/c1-15-7-6-12-19(20(15)16-8-2-3-9-16)21(25)24-23(22(26)27)13-17-10-4-5-11-18(17)14-23/h4-8,10-12H,2-3,9,13-14H2,1H3,(H,24,25)(H,26,27)

>  <InChI Key>
JMXZJWLQQXRYCF-UHFFFAOYSA-N

