
 SCHEMBL3303876

 46 49  0  0  0  0  0  0  0  0999 V2000
    0.8710    2.7137    6.3938 C   0  0  0  0  0
    1.9477    1.8909    5.7124 C   0  0  0  0  0
    1.3649    1.0991    4.5419 C   0  0  0  0  0
    0.4224    1.8804    3.6459 C   0  0  0  0  0
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   -0.8208    2.1684    1.5672 C   0  0  0  0  0
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   -0.8954    3.8977    3.2379 C   0  0  0  0  0
   -0.0664    3.1388    4.0778 C   0  0  0  0  0
    0.3162    3.7375    5.4121 C   0  0  0  0  0
    0.3584   -0.0204    1.9219 C   0  0  0  0  0
    1.2819   -0.6535    2.4158 O   0  0  0  0  0
   -0.4408   -0.5590    0.9289 N   0  0  0  0  0
   -0.2760   -1.9530    0.4314 C   0  0  0  0  0
   -1.1176   -2.1124   -0.8765 C   0  0  0  0  0
   -0.1142   -1.7991   -1.9454 C   0  0  0  0  0
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    0.7626   -1.2561   -4.1006 C   0  0  0  0  0
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    2.2872   -1.7067   -2.2621 C   0  0  0  0  0
    1.1853   -1.9118   -1.4489 C   0  0  0  0  0
    1.1767   -2.3083   -0.0027 C   0  0  0  0  0
   -0.8095   -2.9752    1.4469 C   0  0  0  0  0
   -0.6894   -4.1902    1.3880 O   0  0  0  0  0
   -1.5740   -2.4369    2.4251 O   0  0  0  0  0
    1.2835    3.2271    7.2695 H   0  0  0  0  0
    0.0693    2.0553    6.7508 H   0  0  0  0  0
    2.4133    1.2021    6.4263 H   0  0  0  0  0
    2.7421    2.5563    5.3494 H   0  0  0  0  0
    0.8246    0.2284    4.9328 H   0  0  0  0  0
    2.2254    0.7499    3.9623 H   0  0  0  0  0
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   -1.8834    4.0288    1.3337 H   0  0  0  0  0
   -1.2498    4.8758    3.5582 H   0  0  0  0  0
    1.0668    4.5176    5.2327 H   0  0  0  0  0
   -0.5578    4.2182    5.8680 H   0  0  0  0  0
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   -1.9659   -1.4204   -0.9136 H   0  0  0  0  0
   -1.4843   -3.1358   -1.0165 H   0  0  0  0  0
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    0.6123   -0.9976   -5.1461 H   0  0  0  0  0
    2.9172   -1.1971   -4.2554 H   0  0  0  0  0
    3.2956   -1.8027   -1.8715 H   0  0  0  0  0
    1.9591   -1.7739    0.5368 H   0  0  0  0  0
    1.3773   -3.3835    0.0692 H   0  0  0  0  0
   -1.7953   -3.2031    2.9953 H   0  0  0  0  0
  1  2  1  0  0  0
  1 10  1  0  0  0
  1 26  1  0  0  0
  1 27  1  0  0  0
  2  3  1  0  0  0
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  2 29  1  0  0  0
  3  4  1  0  0  0
  3 30  1  0  0  0
  3 31  1  0  0  0
  4  5  2  0  0  0
  4  9  1  0  0  0
  5  6  1  0  0  0
  5 11  1  0  0  0
  6  7  2  0  0  0
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  7  8  1  0  0  0
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 13 14  1  0  0  0
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 25 46  1  0  0  0
M  END

>  <Chemical Name>
SCHEMBL3303876

>  <PubChem CID>
25159359

>  <Formula>
C21H21NO3

>  <Molecular Weight>
335.403000

>  <IUPAC Name>
2-(5,6,7,8-tetrahydronaphthalene-1-carbonylamino)-1,3-dihydroindene-2-carboxylic acid

>  <XlogP>
4.0

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
C1CCC2=C(C=CC=C2C1)C(=O)NC3(CC4=CC=CC=C4C3)C(=O)O

>  <Isomeric SMILES>
C1CCC2=C(C=CC=C2C1)C(=O)NC3(CC4=CC=CC=C4C3)C(=O)O

>  <InChI Std. ID>
InChI=1S/C21H21NO3/c23-19(18-11-5-9-14-6-3-4-10-17(14)18)22-21(20(24)25)12-15-7-1-2-8-16(15)13-21/h1-2,5,7-9,11H,3-4,6,10,12-13H2,(H,22,23)(H,24,25)

>  <InChI Key>
YAJDKGWZDVHDQJ-UHFFFAOYSA-N

