
 CHEMBL137336

 57 59  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CHEMBL137336

>  <PubChem CID>
10341242

>  <Formula>
C25H27NO4

>  <Molecular Weight>
405.494000

>  <IUPAC Name>
6-[4-(3-methoxyphenyl)-6-phenylpyridin-2-yl]oxy-2-methylhexanoic acid

>  <XlogP>
5.6

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
CC(CCCCOC1=CC(=CC(=N1)C2=CC=CC=C2)C3=CC(=CC=C3)OC)C(=O)O

>  <Isomeric SMILES>
CC(CCCCOC1=CC(=CC(=N1)C2=CC=CC=C2)C3=CC(=CC=C3)OC)C(=O)O

>  <InChI Std. ID>
InChI=1S/C25H27NO4/c1-18(25(27)28)9-6-7-14-30-24-17-21(20-12-8-13-22(15-20)29-2)16-23(26-24)19-10-4-3-5-11-19/h3-5,8,10-13,15-18H,6-7,9,14H2,1-2H3,(H,27,28)

>  <InChI Key>
CLCYPUVDBPCOQP-UHFFFAOYSA-N

