
 3-Quinuclidinyl benzilate

 48 51  0  0  0  0  0  0  0  0999 V2000
    0.2993   -2.6032    2.0058 C   0  0  0  0  0
   -0.7624   -3.2941    1.1308 C   0  0  0  0  0
   -0.2622   -4.5736    0.5772 N   0  0  0  0  0
    0.8586   -4.2821   -0.3459 C   0  0  0  0  0
    1.9281   -3.4030    0.3215 C   0  0  0  0  0
    1.6454   -3.3275    1.8326 C   0  0  0  0  0
    1.4828   -4.7609    2.3872 C   0  0  0  0  0
    0.2480   -5.4042    1.7020 C   0  0  0  0  0
    2.6850   -5.4996    2.0910 O   0  0  0  0  0
    2.8769   -6.6456    2.8020 C   0  0  0  0  0
    2.0894   -7.0508    3.6568 O   0  0  0  0  0
    4.1421   -7.4552    2.3736 C   0  0  0  0  0
    3.8462   -8.4607    1.2467 C   0  0  0  0  0
    4.5620   -9.6722    1.1745 C   0  0  0  0  0
    4.3055  -10.6073    0.1692 C   0  0  0  0  0
    3.3379  -10.3450   -0.7952 C   0  0  0  0  0
    2.6375   -9.1433   -0.7623 C   0  0  0  0  0
    2.8947   -8.2072    0.2432 C   0  0  0  0  0
    5.3709   -6.5841    2.0626 C   0  0  0  0  0
    5.3824   -5.7049    0.9625 C   0  0  0  0  0
    6.4930   -4.9046    0.6811 C   0  0  0  0  0
    7.6311   -4.9872    1.4762 C   0  0  0  0  0
    7.6583   -5.8696    2.5515 C   0  0  0  0  0
    6.5400   -6.6566    2.8431 C   0  0  0  0  0
    4.4315   -8.2580    3.5535 O   0  0  0  0  0
   -0.0069   -2.6250    3.0586 H   0  0  0  0  0
    0.3922   -1.5505    1.7141 H   0  0  0  0  0
   -1.0653   -2.6312    0.3101 H   0  0  0  0  0
   -1.6720   -3.4722    1.7172 H   0  0  0  0  0
    0.4795   -3.7854   -1.2472 H   0  0  0  0  0
    1.3051   -5.2216   -0.6944 H   0  0  0  0  0
    2.9256   -3.8101    0.1280 H   0  0  0  0  0
    1.9077   -2.3946   -0.1097 H   0  0  0  0  0
    2.4562   -2.7981    2.3439 H   0  0  0  0  0
    1.3352   -4.7086    3.4737 H   0  0  0  0  0
    0.4717   -6.4097    1.3306 H   0  0  0  0  0
   -0.5562   -5.5291    2.4384 H   0  0  0  0  0
    5.3304   -9.8970    1.9135 H   0  0  0  0  0
    4.8634  -11.5396    0.1417 H   0  0  0  0  0
    3.1350  -11.0731   -1.5760 H   0  0  0  0  0
    1.8888   -8.9309   -1.5217 H   0  0  0  0  0
    2.3361   -7.2770    0.2166 H   0  0  0  0  0
    4.5199   -5.6306    0.3048 H   0  0  0  0  0
    6.4697   -4.2223   -0.1648 H   0  0  0  0  0
    8.4987   -4.3723    1.2533 H   0  0  0  0  0
    8.5514   -5.9511    3.1658 H   0  0  0  0  0
    6.5990   -7.3406    3.6880 H   0  0  0  0  0
    3.5613   -8.5599    3.8811 H   0  0  0  0  0
  1  2  1  0  0  0
  1  6  1  0  0  0
  1 26  1  0  0  0
  1 27  1  0  0  0
  2  3  1  0  0  0
  2 28  1  0  0  0
  2 29  1  0  0  0
  3  8  1  0  0  0
  3  4  1  0  0  0
  4  5  1  0  0  0
  4 30  1  0  0  0
  4 31  1  0  0  0
  5  6  1  0  0  0
  5 32  1  0  0  0
  5 33  1  0  0  0
  6  7  1  0  0  0
  6 34  1  0  0  0
  7  8  1  0  0  0
  7  9  1  0  0  0
  7 35  1  0  0  0
  8 36  1  0  0  0
  8 37  1  0  0  0
  9 10  1  0  0  0
 10 12  1  0  0  0
 10 11  2  0  0  0
 12 25  1  0  0  0
 12 19  1  0  0  0
 12 13  1  0  0  0
 13 14  2  0  0  0
 13 18  1  0  0  0
 14 15  1  0  0  0
 14 38  1  0  0  0
 15 16  2  0  0  0
 15 39  1  0  0  0
 16 17  1  0  0  0
 16 40  1  0  0  0
 17 18  2  0  0  0
 17 41  1  0  0  0
 18 42  1  0  0  0
 19 20  2  0  0  0
 19 24  1  0  0  0
 20 21  1  0  0  0
 20 43  1  0  0  0
 21 22  2  0  0  0
 21 44  1  0  0  0
 22 23  1  0  0  0
 22 45  1  0  0  0
 23 24  2  0  0  0
 23 46  1  0  0  0
 24 47  1  0  0  0
 25 48  1  0  0  0
M  END

>  <Chemical Name>
3-Quinuclidinyl benzilate

>  <PubChem CID>
23056

>  <Formula>
C21H23NO3

>  <Molecular Weight>
337.419000

>  <IUPAC Name>
1-azabicyclo[2.2.2]octan-3-yl 2-hydroxy-2,2-diphenylacetate

>  <XlogP>
3.3

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
C1CN2CCC1C(C2)OC(=O)C(C3=CC=CC=C3)(C4=CC=CC=C4)O

>  <Isomeric SMILES>
C1CN2CCC1C(C2)OC(=O)C(C3=CC=CC=C3)(C4=CC=CC=C4)O

>  <InChI Std. ID>
InChI=1S/C21H23NO3/c23-20(25-19-15-22-13-11-16(19)12-14-22)21(24,17-7-3-1-4-8-17)18-9-5-2-6-10-18/h1-10,16,19,24H,11-15H2

>  <InChI Key>
HGMITUYOCPPQLE-UHFFFAOYSA-N

