
 CHEMBL3597525

 71 74  0  0  0  0  0  0  0  0999 V2000
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   -0.1758    9.9233   -2.7666 H   0  0  0  0  0
    4.3284   10.8607   -3.8500 H   0  0  0  0  0
    4.5003   13.3571   -3.7008 H   0  0  0  0  0
   -0.8428    0.7555   -4.3291 H   0  0  0  0  0
   -1.6126   -1.9179   -4.6089 H   0  0  0  0  0
   -1.8614   -2.8544   -3.1446 H   0  0  0  0  0
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  1  6  1  0  0  0
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M  END

>  <Chemical Name>
CHEMBL3597525

>  <PubChem CID>
122183682

>  <Formula>
C32H30F3NO5

>  <Molecular Weight>
565.589000

>  <IUPAC Name>
4-[1-(carboxymethyl)-7-[(E)-2-[4-[4-(2,3,6-trifluorophenyl)butoxy]phenyl]ethenyl]indol-3-yl]butanoic acid

>  <XlogP>
7.0

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
8

>  <Canonical SMILES>
C1=CC2=C(C(=C1)C=CC3=CC=C(C=C3)OCCCCC4=C(C=CC(=C4F)F)F)N(C=C2CCCC(=O)O)CC(=O)O

>  <Isomeric SMILES>
C1=CC2=C(C(=C1)/C=C/C3=CC=C(C=C3)OCCCCC4=C(C=CC(=C4F)F)F)N(C=C2CCCC(=O)O)CC(=O)O

>  <InChI Std. ID>
InChI=1S/C32H30F3NO5/c33-27-16-17-28(34)31(35)26(27)7-1-2-18-41-24-14-11-21(12-15-24)10-13-22-5-3-8-25-23(6-4-9-29(37)38)19-36(32(22)25)20-30(39)40/h3,5,8,10-17,19H,1-2,4,6-7,9,18,20H2,(H,37,38)(H,39,40)/b13-10+

>  <InChI Key>
UKCJWCGWHOCIIK-JLHYYAGUSA-N

