
 LY-292728

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M  END

>  <Chemical Name>
LY-292728

>  <PubChem CID>
192617

>  <Formula>
C34H29FO9

>  <Molecular Weight>
600.595000

>  <IUPAC Name>
5-(2-carboxyethyl)-6-[3-[2-ethyl-4-(4-fluorophenyl)-5-hydroxyphenoxy]propoxy]-9-oxoxanthene-2-carboxylic acid

>  <XlogP>
6.4

>  <Hydrogen Bond Donors>
3

>  <Hydrogen Bond Acceptors>
10

>  <Canonical SMILES>
CCC1=C(C=C(C(=C1)C2=CC=C(C=C2)F)O)OCCCOC3=C(C4=C(C=C3)C(=O)C5=C(O4)C=CC(=C5)C(=O)O)CCC(=O)O

>  <Isomeric SMILES>
CCC1=C(C=C(C(=C1)C2=CC=C(C=C2)F)O)OCCCOC3=C(C4=C(C=C3)C(=O)C5=C(O4)C=CC(=C5)C(=O)O)CCC(=O)O

>  <InChI Std. ID>
InChI=1S/C34H29FO9/c1-2-19-16-25(20-4-7-22(35)8-5-20)27(36)18-30(19)43-15-3-14-42-28-12-9-24-32(39)26-17-21(34(40)41)6-11-29(26)44-33(24)23(28)10-13-31(37)38/h4-9,11-12,16-18,36H,2-3,10,13-15H2,1H3,(H,37,38)(H,40,41)

>  <InChI Key>
DCTKEJXAVFAMFK-UHFFFAOYSA-N

