
 CHEMBL3288360

 52 55  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CHEMBL3288360

>  <PubChem CID>
58172989

>  <Formula>
C24H23NO4

>  <Molecular Weight>
389.451000

>  <IUPAC Name>
2-[6-[[3-(2,6-dimethylphenyl)phenyl]methoxy]-1,3-dihydrofuro[3,4-c]pyridin-3-yl]acetic acid

>  <XlogP>
3.8

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
CC1=C(C(=CC=C1)C)C2=CC(=CC=C2)COC3=NC=C4C(OCC4=C3)CC(=O)O

>  <Isomeric SMILES>
CC1=C(C(=CC=C1)C)C2=CC(=CC=C2)COC3=NC=C4C(OCC4=C3)CC(=O)O

>  <InChI Std. ID>
InChI=1S/C24H23NO4/c1-15-5-3-6-16(2)24(15)18-8-4-7-17(9-18)13-29-22-10-19-14-28-21(11-23(26)27)20(19)12-25-22/h3-10,12,21H,11,13-14H2,1-2H3,(H,26,27)

>  <InChI Key>
BXUPSQCAUMEOTH-UHFFFAOYSA-N

