
 MLS000331633

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M  END

>  <Chemical Name>
MLS000331633

>  <PubChem CID>
1996694

>  <Formula>
C22H15NO5

>  <Molecular Weight>
373.364000

>  <IUPAC Name>
[(2Z)-3-oxo-2-(pyridin-4-ylmethylidene)-1-benzofuran-6-yl] 2-methoxybenzoate

>  <XlogP>
3.9

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
6

>  <Canonical SMILES>
COC1=CC=CC=C1C(=O)OC2=CC3=C(C=C2)C(=O)C(=CC4=CC=NC=C4)O3

>  <Isomeric SMILES>
COC1=CC=CC=C1C(=O)OC2=CC3=C(C=C2)C(=O)/C(=C/C4=CC=NC=C4)/O3

>  <InChI Std. ID>
InChI=1S/C22H15NO5/c1-26-18-5-3-2-4-17(18)22(25)27-15-6-7-16-19(13-15)28-20(21(16)24)12-14-8-10-23-11-9-14/h2-13H,1H3/b20-12-

>  <InChI Key>
AEWHVTGTVLCLPQ-NDENLUEZSA-N

