
 CHEMBL1813284

 59 63  0  0  0  0  0  0  0  0999 V2000
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    0.9180    0.9386    2.1109 C   0  0  0  0  0
    0.8952    0.6869   -2.2093 H   0  0  0  0  0
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    4.1283   -3.7514   -0.7685 H   0  0  0  0  0
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    5.2788   -2.3858   -2.6290 H   0  0  0  0  0
    7.7511   -3.2866   -1.1099 H   0  0  0  0  0
    7.4952   -1.8365   -2.1288 H   0  0  0  0  0
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    0.4059    0.8085    3.0696 H   0  0  0  0  0
  1  2  1  0  0  0
  1 35  1  0  0  0
  1 36  1  0  0  0
  1 37  1  0  0  0
  2  3  2  0  0  0
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M  END

>  <Chemical Name>
CHEMBL1813284

>  <PubChem CID>
56664921

>  <Formula>
C28H25NO5

>  <Molecular Weight>
455.510000

>  <IUPAC Name>
2-[1-[4-[[(2S)-2,3-dihydro-1-benzofuran-2-yl]methoxy]-2-methylbenzoyl]-2-methylindol-3-yl]acetic acid

>  <XlogP>
5.5

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
CC1=C(C=CC(=C1)OCC2CC3=CC=CC=C3O2)C(=O)N4C(=C(C5=CC=CC=C54)CC(=O)O)C

>  <Isomeric SMILES>
CC1=C(C=CC(=C1)OC[C@@H]2CC3=CC=CC=C3O2)C(=O)N4C(=C(C5=CC=CC=C54)CC(=O)O)C

>  <InChI Std. ID>
InChI=1S/C28H25NO5/c1-17-13-20(33-16-21-14-19-7-3-6-10-26(19)34-21)11-12-22(17)28(32)29-18(2)24(15-27(30)31)23-8-4-5-9-25(23)29/h3-13,21H,14-16H2,1-2H3,(H,30,31)/t21-/m0/s1

>  <InChI Key>
JEORYEVIWMUWRC-NRFANRHFSA-N

