
 CHEMBL361457

 54 57  0  0  0  0  0  0  0  0999 V2000
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    1.4609   -5.2646    1.2216 H   0  0  0  0  0
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    2.1902   -4.2020    2.4635 H   0  0  0  0  0
   -1.4421   -3.4843    1.5556 H   0  0  0  0  0
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  1  2  1  0  0  0
  1 32  1  0  0  0
  1 33  1  0  0  0
  1 34  1  0  0  0
  2 10  1  0  0  0
  2  3  2  0  0  0
  3  4  1  0  0  0
  3 35  1  0  0  0
  4  9  1  0  0  0
  4  5  2  0  0  0
  5  6  1  0  0  0
  5 28  1  0  0  0
  6  7  2  0  0  0
  6 36  1  0  0  0
  7  8  1  0  0  0
  7 37  1  0  0  0
  8  9  2  0  0  0
  8 38  1  0  0  0
  9 10  1  0  0  0
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 19 20  1  0  0  0
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 31 54  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL361457

>  <PubChem CID>
11315933

>  <Formula>
C26H23NO4

>  <Molecular Weight>
413.473000

>  <IUPAC Name>
2-[2-methyl-1-[4-(2-phenylethoxy)benzoyl]indol-4-yl]acetic acid

>  <XlogP>
5.3

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
CC1=CC2=C(C=CC=C2N1C(=O)C3=CC=C(C=C3)OCCC4=CC=CC=C4)CC(=O)O

>  <Isomeric SMILES>
CC1=CC2=C(C=CC=C2N1C(=O)C3=CC=C(C=C3)OCCC4=CC=CC=C4)CC(=O)O

>  <InChI Std. ID>
InChI=1S/C26H23NO4/c1-18-16-23-21(17-25(28)29)8-5-9-24(23)27(18)26(30)20-10-12-22(13-11-20)31-15-14-19-6-3-2-4-7-19/h2-13,16H,14-15,17H2,1H3,(H,28,29)

>  <InChI Key>
JLYOJYCKWIZTAQ-UHFFFAOYSA-N

