
 CHEMBL545198

 57 59  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CHEMBL545198

>  <PubChem CID>
45260231

>  <Formula>
C23H27ClN2O4

>  <Molecular Weight>
430.929000

>  <IUPAC Name>
2-[2-[(5-methoxy-3,4-dihydro-2H-chromen-3-yl)-propylamino]ethyl]isoindole-1,3-dione;hydrochloride

>  <XlogP>
-10000

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
CCCN(CCN1C(=O)C2=CC=CC=C2C1=O)C3CC4=C(C=CC=C4OC)OC3.Cl

>  <Isomeric SMILES>
CCCN(CCN1C(=O)C2=CC=CC=C2C1=O)C3CC4=C(C=CC=C4OC)OC3.Cl

>  <InChI Std. ID>
InChI=1S/C23H26N2O4.ClH/c1-3-11-24(16-14-19-20(28-2)9-6-10-21(19)29-15-16)12-13-25-22(26)17-7-4-5-8-18(17)23(25)27;/h4-10,16H,3,11-15H2,1-2H3;1H

>  <InChI Key>
JKLZWXDQKZMGDM-UHFFFAOYSA-N

