
 CHEMBL467571

 71 74  0  0  0  0  0  0  0  0999 V2000
    2.3632    2.6756   -3.3759 C   0  0  0  0  0
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    6.4123   -4.8578    0.2735 H   0  0  0  0  0
    8.1532   -6.5993    0.1201 H   0  0  0  0  0
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    8.6798    0.3211   -0.8867 H   0  0  0  0  0
    9.5619   -1.0831   -0.2562 H   0  0  0  0  0
  1  2  1  0  0  0
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M  END

>  <Chemical Name>
CHEMBL467571

>  <PubChem CID>
44581547

>  <Formula>
C28H37ClN2O3

>  <Molecular Weight>
485.065000

>  <IUPAC Name>
N-[1-(4-chlorophenyl)-3-(dimethylamino)propan-2-yl]-N-(1,4-dioxaspiro[4.5]decan-8-yl)-2-ethylbenzamide

>  <XlogP>
5.6

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
CCC1=CC=CC=C1C(=O)N(C2CCC3(CC2)OCCO3)C(CC4=CC=C(C=C4)Cl)CN(C)C

>  <Isomeric SMILES>
CCC1=CC=CC=C1C(=O)N(C2CCC3(CC2)OCCO3)C(CC4=CC=C(C=C4)Cl)CN(C)C

>  <InChI Std. ID>
InChI=1S/C28H37ClN2O3/c1-4-22-7-5-6-8-26(22)27(32)31(24-13-15-28(16-14-24)33-17-18-34-28)25(20-30(2)3)19-21-9-11-23(29)12-10-21/h5-12,24-25H,4,13-20H2,1-3H3

>  <InChI Key>
DJERTHKDACYGDN-UHFFFAOYSA-N

