
 CHEMBL365908

 57 61  0  0  0  0  0  0  0  0999 V2000
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  1  2  1  0  0  0
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M  END

>  <Chemical Name>
CHEMBL365908

>  <PubChem CID>
44394432

>  <Formula>
C27H23NO6

>  <Molecular Weight>
457.482000

>  <IUPAC Name>
2-[1-[4-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methoxy]benzoyl]-2-methylindol-4-yl]acetic acid

>  <XlogP>
4.9

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
6

>  <Canonical SMILES>
CC1=CC2=C(C=CC=C2N1C(=O)C3=CC=C(C=C3)OCC4COC5=CC=CC=C5O4)CC(=O)O

>  <Isomeric SMILES>
CC1=CC2=C(C=CC=C2N1C(=O)C3=CC=C(C=C3)OC[C@H]4COC5=CC=CC=C5O4)CC(=O)O

>  <InChI Std. ID>
InChI=1S/C27H23NO6/c1-17-13-22-19(14-26(29)30)5-4-6-23(22)28(17)27(31)18-9-11-20(12-10-18)32-15-21-16-33-24-7-2-3-8-25(24)34-21/h2-13,21H,14-16H2,1H3,(H,29,30)/t21-/m0/s1

>  <InChI Key>
OCCPUDPMKJXBQC-NRFANRHFSA-N

