
 CHEMBL1915867

 60 63  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CHEMBL1915867

>  <PubChem CID>
11375038

>  <Formula>
C27H26ClNO5

>  <Molecular Weight>
479.957000

>  <IUPAC Name>
2-[4-chloro-3-[[2,6-dimethyl-4-[[(3R)-5-methyl-2,3-dihydro-1-benzofuran-3-yl]methoxy]benzoyl]amino]phenyl]acetic acid

>  <XlogP>
5.4

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
CC1=CC2=C(C=C1)OCC2COC3=CC(=C(C(=C3)C)C(=O)NC4=C(C=CC(=C4)CC(=O)O)Cl)C

>  <Isomeric SMILES>
CC1=CC2=C(C=C1)OC[C@H]2COC3=CC(=C(C(=C3)C)C(=O)NC4=C(C=CC(=C4)CC(=O)O)Cl)C

>  <InChI Std. ID>
InChI=1S/C27H26ClNO5/c1-15-4-7-24-21(8-15)19(14-34-24)13-33-20-9-16(2)26(17(3)10-20)27(32)29-23-11-18(12-25(30)31)5-6-22(23)28/h4-11,19H,12-14H2,1-3H3,(H,29,32)(H,30,31)/t19-/m1/s1

>  <InChI Key>
NXTVJLPVVYHNJC-LJQANCHMSA-N

