
 SCHEMBL1569723

 65 69  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
SCHEMBL1569723

>  <PubChem CID>
67080288

>  <Formula>
C31H24Cl3NO6

>  <Molecular Weight>
612.884000

>  <IUPAC Name>
6-chloro-7-[4-[2-[4-chloro-2-(4-chlorophenoxy)phenyl]ethylcarbamoyl]phenoxy]-3,4-dihydro-2H-chromene-4-carboxylic acid

>  <XlogP>
7.7

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
6

>  <Canonical SMILES>
C1COC2=CC(=C(C=C2C1C(=O)O)Cl)OC3=CC=C(C=C3)C(=O)NCCC4=C(C=C(C=C4)Cl)OC5=CC=C(C=C5)Cl

>  <Isomeric SMILES>
C1COC2=CC(=C(C=C2C1C(=O)O)Cl)OC3=CC=C(C=C3)C(=O)NCCC4=C(C=C(C=C4)Cl)OC5=CC=C(C=C5)Cl

>  <InChI Std. ID>
InChI=1S/C31H24Cl3NO6/c32-20-5-9-23(10-6-20)40-27-15-21(33)4-1-18(27)11-13-35-30(36)19-2-7-22(8-3-19)41-29-17-28-25(16-26(29)34)24(31(37)38)12-14-39-28/h1-10,15-17,24H,11-14H2,(H,35,36)(H,37,38)

>  <InChI Key>
AIGXDRIVYJINPQ-UHFFFAOYSA-N

