
 SCHEMBL3312934

 44 46  0  0  0  0  0  0  0  0999 V2000
    5.6737    1.2608   -2.9101 C   0  0  0  0  0
    5.5114    2.5673   -2.6650 C   0  0  0  0  0
    4.9650    3.5621   -3.6425 C   0  0  0  0  0
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    3.5043    5.2288   -2.8945 C   0  0  0  0  0
    3.2320    5.5614   -1.5638 C   0  0  0  0  0
    3.1240    6.9020   -1.1674 C   0  0  0  0  0
    3.1985    7.9163   -2.1184 C   0  0  0  0  0
    3.3889    7.5896   -3.4613 C   0  0  0  0  0
    3.5365    6.2519   -3.8515 C   0  0  0  0  0
    3.7288    5.9264   -5.5376 Cl  0  0  0  0  0
    3.1890    4.5460   -0.5055 C   0  0  0  0  0
    4.2202    4.3265    0.1267 O   0  0  0  0  0
    2.0218    3.9328   -0.1472 N   0  0  0  0  0
    0.6555    3.8630   -0.7378 C   0  0  0  0  0
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   -0.3938    6.4472   -3.2372 C   0  0  0  0  0
   -0.3866    6.3258   -4.6286 C   0  0  0  0  0
   -0.0470    5.1088   -5.2374 C   0  0  0  0  0
    0.2934    4.0003   -4.4616 C   0  0  0  0  0
    0.2936    4.1341   -3.0820 C   0  0  0  0  0
    0.6305    3.0787   -2.0762 C   0  0  0  0  0
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    5.7904    2.9618   -1.6893 H   0  0  0  0  0
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    2.9822    7.1497   -0.1175 H   0  0  0  0  0
    3.1028    8.9561   -1.8166 H   0  0  0  0  0
    3.4214    8.3829   -4.2043 H   0  0  0  0  0
    2.1650    3.2849    0.6249 H   0  0  0  0  0
    0.5582    6.0667   -0.5372 H   0  0  0  0  0
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   -0.6471    7.1801   -5.2481 H   0  0  0  0  0
   -0.0427    5.0299   -6.3215 H   0  0  0  0  0
    0.5642    3.0603   -4.9325 H   0  0  0  0  0
    1.5931    2.6094   -2.2986 H   0  0  0  0  0
   -0.1446    2.3042   -2.1004 H   0  0  0  0  0
   -0.2457    2.1102    1.8379 H   0  0  0  0  0
  1  2  2  0  0  0
  1 27  1  0  0  0
  1 28  1  0  0  0
  2  3  1  0  0  0
  2 29  1  0  0  0
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  4  5  1  0  0  0
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  6  7  1  0  0  0
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M  END

>  <Chemical Name>
SCHEMBL3312934

>  <PubChem CID>
59314391

>  <Formula>
C20H18ClNO4

>  <Molecular Weight>
371.817000

>  <IUPAC Name>
2-[(3-chloro-2-prop-2-enoxybenzoyl)amino]-1,3-dihydroindene-2-carboxylic acid

>  <XlogP>
3.9

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
C=CCOC1=C(C=CC=C1Cl)C(=O)NC2(CC3=CC=CC=C3C2)C(=O)O

>  <Isomeric SMILES>
C=CCOC1=C(C=CC=C1Cl)C(=O)NC2(CC3=CC=CC=C3C2)C(=O)O

>  <InChI Std. ID>
InChI=1S/C20H18ClNO4/c1-2-10-26-17-15(8-5-9-16(17)21)18(23)22-20(19(24)25)11-13-6-3-4-7-14(13)12-20/h2-9H,1,10-12H2,(H,22,23)(H,24,25)

>  <InChI Key>
KBANFOAVVPTUAL-UHFFFAOYSA-N

