
 CHEMBL1915857

 58 61  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CHEMBL1915857

>  <PubChem CID>
57396336

>  <Formula>
C26H24ClNO6

>  <Molecular Weight>
481.929000

>  <IUPAC Name>
2-[4-chloro-3-[[4-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methoxy]-2,6-dimethylbenzoyl]amino]phenyl]acetic acid

>  <XlogP>
5.0

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
6

>  <Canonical SMILES>
CC1=CC(=CC(=C1C(=O)NC2=C(C=CC(=C2)CC(=O)O)Cl)C)OCC3COC4=CC=CC=C4O3

>  <Isomeric SMILES>
CC1=CC(=CC(=C1C(=O)NC2=C(C=CC(=C2)CC(=O)O)Cl)C)OC[C@@H]3COC4=CC=CC=C4O3

>  <InChI Std. ID>
InChI=1S/C26H24ClNO6/c1-15-9-18(32-13-19-14-33-22-5-3-4-6-23(22)34-19)10-16(2)25(15)26(31)28-21-11-17(12-24(29)30)7-8-20(21)27/h3-11,19H,12-14H2,1-2H3,(H,28,31)(H,29,30)/t19-/m1/s1

>  <InChI Key>
OQOSBTADWVKSLN-LJQANCHMSA-N

