
 CHEMBL137203

 56 58  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CHEMBL137203

>  <PubChem CID>
11741295

>  <Formula>
C24H27NO4

>  <Molecular Weight>
393.483000

>  <IUPAC Name>
6-[4-(2-methoxyphenyl)quinolin-2-yl]oxy-2,2-dimethylhexanoic acid

>  <XlogP>
5.6

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
CC(C)(CCCCOC1=NC2=CC=CC=C2C(=C1)C3=CC=CC=C3OC)C(=O)O

>  <Isomeric SMILES>
CC(C)(CCCCOC1=NC2=CC=CC=C2C(=C1)C3=CC=CC=C3OC)C(=O)O

>  <InChI Std. ID>
InChI=1S/C24H27NO4/c1-24(2,23(26)27)14-8-9-15-29-22-16-19(17-10-4-6-12-20(17)25-22)18-11-5-7-13-21(18)28-3/h4-7,10-13,16H,8-9,14-15H2,1-3H3,(H,26,27)

>  <InChI Key>
DAOGPSVCVHGUKC-UHFFFAOYSA-N

