
 CHEMBL3597534

 77 80  0  0  0  0  0  0  0  0999 V2000
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  -16.0091    1.0940    1.2931 H   0  0  0  0  0
  -15.7439   -1.9793   -0.1585 H   0  0  0  0  0
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M  END

>  <Chemical Name>
CHEMBL3597534

>  <PubChem CID>
122183690

>  <Formula>
C34H36FNO5

>  <Molecular Weight>
557.662000

>  <IUPAC Name>
4-[1-(carboxymethyl)-7-[(E)-2-[4-[4-(3-fluoro-2-methylphenyl)butoxy]phenyl]ethenyl]-2-methylindol-3-yl]butanoic acid

>  <XlogP>
7.6

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
6

>  <Canonical SMILES>
CC1=C(C=CC=C1F)CCCCOC2=CC=C(C=C2)C=CC3=CC=CC4=C3N(C(=C4CCCC(=O)O)C)CC(=O)O

>  <Isomeric SMILES>
CC1=C(C=CC=C1F)CCCCOC2=CC=C(C=C2)/C=C/C3=CC=CC4=C3N(C(=C4CCCC(=O)O)C)CC(=O)O

>  <InChI Std. ID>
InChI=1S/C34H36FNO5/c1-23-26(9-6-13-31(23)35)8-3-4-21-41-28-19-16-25(17-20-28)15-18-27-10-5-12-30-29(11-7-14-32(37)38)24(2)36(34(27)30)22-33(39)40/h5-6,9-10,12-13,15-20H,3-4,7-8,11,14,21-22H2,1-2H3,(H,37,38)(H,39,40)/b18-15+

>  <InChI Key>
DTNSCIGPDCWJEP-OBGWFSINSA-N

