
 CHEMBL545198

 55 58  0  0  0  0  0  0  0  0999 V2000
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    3.1596   -2.1471    0.6636 H   0  0  0  0  0
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    4.5402   -1.0421    0.6325 H   0  0  0  0  0
    1.6750   -0.4341   -0.2639 H   0  0  0  0  0
    3.0115   -0.7213   -1.3527 H   0  0  0  0  0
    2.6347    1.5674    0.6149 H   0  0  0  0  0
    2.4859    1.6775   -1.1346 H   0  0  0  0  0
    4.5984    1.4901   -2.5293 H   0  0  0  0  0
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    4.5290    3.0007    1.9513 H   0  0  0  0  0
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M  END

>  <Chemical Name>
CHEMBL545198

>  <PubChem CID>
9977937

>  <Formula>
C23H26N2O4

>  <Molecular Weight>
394.471000

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

>  <XlogP>
3.6

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
5

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

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

>  <InChI Std. ID>
InChI=1S/C23H26N2O4/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

>  <InChI Key>
IWAURPBNJCOTMU-UHFFFAOYSA-N

