
 CHEMBL3947168

 62 65  0  0  0  0  0  0  0  0999 V2000
    2.9876   -1.2180   -2.2007 C   0  0  0  0  0
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    3.7764    0.8682   -0.9759 N   0  0  0  0  0
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    7.0549    6.1936    0.4826 O   0  0  0  0  0
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    7.7051    6.5330   -1.8532 C   0  0  0  0  0
    8.8136    6.5542   -2.7904 N   0  0  0  0  0
    9.5669    7.6609   -3.0459 C   0  0  0  0  0
    9.4199    8.7701   -2.5590 O   0  0  0  0  0
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    8.9109    4.2884   -3.2301 O   0  0  0  0  0
    4.3673    6.4440    0.7026 O   0  0  0  0  0
    3.7446    6.8831   -0.5033 C   0  0  0  0  0
    2.1794   -0.7359   -2.7605 H   0  0  0  0  0
    2.6840   -2.2610   -2.0488 H   0  0  0  0  0
    3.8854   -1.2267   -2.8295 H   0  0  0  0  0
    2.2749   -0.4632   -0.3341 H   0  0  0  0  0
    2.5844   -2.3661    1.0807 H   0  0  0  0  0
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    3.8311   -5.1071    2.0317 H   0  0  0  0  0
    3.5557   -3.9280    3.3545 H   0  0  0  0  0
    3.2711    1.2377   -3.0027 H   0  0  0  0  0
    3.4862    2.6777   -2.0607 H   0  0  0  0  0
    2.0150    1.7136   -1.8319 H   0  0  0  0  0
    4.0552    0.9220    1.1460 H   0  0  0  0  0
    2.6802    1.8383    0.5707 H   0  0  0  0  0
    2.9974    4.2121    0.6347 H   0  0  0  0  0
    7.9114    3.6035    0.2661 H   0  0  0  0  0
    6.4376    1.6619    0.1688 H   0  0  0  0  0
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    8.7823    7.1059   -0.0813 H   0  0  0  0  0
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    2.8008    6.3531   -0.6695 H   0  0  0  0  0
    4.4061    6.7639   -1.3692 H   0  0  0  0  0
    3.5186    7.9482   -0.3957 H   0  0  0  0  0
  1  2  1  0  0  0
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  5  6  2  0  0  0
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  8 39  1  0  0  0
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 32 62  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL3947168

>  <PubChem CID>
134147361

>  <Formula>
C25H30N2O5

>  <Molecular Weight>
438.524000

>  <IUPAC Name>
1-[2-[4-[[[(1R)-1-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-methylamino]methyl]-2-methoxyphenoxy]ethyl]pyrrolidine-2,5-dione

>  <XlogP>
2.5

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
6

>  <Canonical SMILES>
CC(C1=CC2=C(C=C1)OCC2)N(C)CC3=CC(=C(C=C3)OCCN4C(=O)CCC4=O)OC

>  <Isomeric SMILES>
C[C@H](C1=CC2=C(C=C1)OCC2)N(C)CC3=CC(=C(C=C3)OCCN4C(=O)CCC4=O)OC

>  <InChI Std. ID>
InChI=1S/C25H30N2O5/c1-17(19-5-7-21-20(15-19)10-12-31-21)26(2)16-18-4-6-22(23(14-18)30-3)32-13-11-27-24(28)8-9-25(27)29/h4-7,14-15,17H,8-13,16H2,1-3H3/t17-/m1/s1

>  <InChI Key>
BSNWZBYWVSWGSR-QGZVFWFLSA-N

