
 CHEMBL3730405

 65 70  0  0  0  0  0  0  0  0999 V2000
    1.3596    1.1825    0.3375 C   0  0  0  0  0
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  1  2  1  0  0  0
  1  6  1  0  0  0
  1 36  1  0  0  0
  1 37  1  0  0  0
  2  3  1  0  0  0
  2 38  1  0  0  0
  2 39  1  0  0  0
  3  8  1  0  0  0
  3  4  1  0  0  0
  4  5  1  0  0  0
  4 40  1  0  0  0
  4 41  1  0  0  0
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  5 42  1  0  0  0
  5 43  1  0  0  0
  6  7  1  0  0  0
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  7 22  1  0  0  0
  7 45  1  0  0  0
  8  9  1  0  0  0
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  9 16  1  0  0  0
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  9 47  1  0  0  0
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 34 65  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL3730405

>  <PubChem CID>
11641227

>  <Formula>
C31H30N2O2

>  <Molecular Weight>
462.593000

>  <IUPAC Name>
[(3R)-2-benzhydryl-1-azabicyclo[2.2.2]octan-3-yl] N-naphthalen-1-ylcarbamate

>  <XlogP>
6.9

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
C1CN2CCC1C(C2C(C3=CC=CC=C3)C4=CC=CC=C4)OC(=O)NC5=CC=CC6=CC=CC=C65

>  <Isomeric SMILES>
C1CN2CCC1[C@H](C2C(C3=CC=CC=C3)C4=CC=CC=C4)OC(=O)NC5=CC=CC6=CC=CC=C65

>  <InChI Std. ID>
InChI=1S/C31H30N2O2/c34-31(32-27-17-9-15-22-10-7-8-16-26(22)27)35-30-25-18-20-33(21-19-25)29(30)28(23-11-3-1-4-12-23)24-13-5-2-6-14-24/h1-17,25,28-30H,18-21H2,(H,32,34)/t29?,30-/m1/s1

>  <InChI Key>
GWISHPBAFMUVHK-BDCODIICSA-N

