
 MLS000587548

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M  END

>  <Chemical Name>
MLS000587548

>  <PubChem CID>
12005524

>  <Formula>
C24H22Cl2N2O2

>  <Molecular Weight>
441.352000

>  <IUPAC Name>
(7E)-2-amino-4-(2-chlorophenyl)-7-[(2-chlorophenyl)methylidene]-5,6-dihydro-4H-cyclopenta[b]pyran-3-carbonitrile;ethanol

>  <XlogP>
-10000

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
CCO.C1CC2=C(C1=CC3=CC=CC=C3Cl)OC(=C(C2C4=CC=CC=C4Cl)C#N)N

>  <Isomeric SMILES>
CCO.C\1CC2=C(/C1=C/C3=CC=CC=C3Cl)OC(=C(C2C4=CC=CC=C4Cl)C#N)N

>  <InChI Std. ID>
InChI=1S/C22H16Cl2N2O.C2H6O/c23-18-7-3-1-5-13(18)11-14-9-10-16-20(15-6-2-4-8-19(15)24)17(12-25)22(26)27-21(14)16;1-2-3/h1-8,11,20H,9-10,26H2;3H,2H2,1H3/b14-11+;

>  <InChI Key>
ADCNYPCMZJMRFF-JHGYPSGKSA-N

