33597
  -OEChem-05032423052D

 51 54  0     1  0  0  0  0  0999 V2000
    5.8065   -0.7286    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3229   -0.4697    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2548    0.9445    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.0090   -1.8360    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.7502   -2.8019    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7724   -0.9874    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    6.3775   -3.3940    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1492   -3.3108    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6384   -0.4874    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0355   -2.4543    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4080   -2.3448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6158    0.7550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5817    0.4962    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.2574    1.6886    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8387    0.1257    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2588    1.6362    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.6703    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5477    0.2374    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8406    1.4621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1334    2.1692    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8065    1.7209    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3923    3.1351    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0653    2.6869    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3582    3.3940    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7683   -3.4217    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6915   -0.3727    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7991   -3.6173    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6120   -3.9679    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9542   -3.8993    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.7431   -3.4885    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2201   -0.2729    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3752    0.0740    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8412   -1.8655    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4497   -2.6575    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0019   -2.5226    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.6029   -1.7563    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7447    0.1486    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8563    1.8490    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1605    2.3010    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4485   -0.3561    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2771   -0.3127    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2913    2.2554    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6464    1.7332    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4212    0.8925    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7185    0.1179    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7240   -0.6302    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5346    2.0088    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2449    1.2825    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9539    3.5736    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6642    2.8473    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5187    3.9928    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1 18  1  0  0  0  0
  2 13  1  0  0  0  0
  2 46  1  0  0  0  0
  3 18  2  0  0  0  0
  4  9  1  0  0  0  0
  4 10  1  0  0  0  0
  4 11  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  5  8  1  0  0  0  0
  5 25  1  0  0  0  0
  6  9  1  0  0  0  0
  6 26  1  0  0  0  0
  7 10  1  0  0  0  0
  7 27  1  0  0  0  0
  7 28  1  0  0  0  0
  8 11  1  0  0  0  0
  8 29  1  0  0  0  0
  8 30  1  0  0  0  0
  9 31  1  0  0  0  0
  9 32  1  0  0  0  0
 10 33  1  0  0  0  0
 10 34  1  0  0  0  0
 11 35  1  0  0  0  0
 11 36  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  1  0  0  0  0
 12 15  1  0  0  0  0
 12 37  1  0  0  0  0
 13 18  1  0  0  0  0
 13 19  1  0  0  0  0
 14 16  1  0  0  0  0
 14 38  1  0  0  0  0
 14 39  1  0  0  0  0
 15 17  1  0  0  0  0
 15 40  1  0  0  0  0
 15 41  1  0  0  0  0
 16 17  1  0  0  0  0
 16 42  1  0  0  0  0
 16 43  1  0  0  0  0
 17 44  1  0  0  0  0
 17 45  1  0  0  0  0
 19 20  2  0  0  0  0
 19 21  1  0  0  0  0
 20 22  1  0  0  0  0
 20 47  1  0  0  0  0
 21 23  2  0  0  0  0
 21 48  1  0  0  0  0
 22 24  2  0  0  0  0
 22 49  1  0  0  0  0
 23 24  1  0  0  0  0
 23 50  1  0  0  0  0
 24 51  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
33597

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
448

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
4

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
5

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB6MAAAAAAAAAAAAAAAAAAAAYAAAAA8WLEAAAAAAAABAAAAHgAACAAADVThmAYwCIMABgCIAiDSCAICAAAgAAAIiAFICIgLJjKAlRCHcAAkwAGbmAe4yOCOgAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
quinuclidin-3-yl 2-cyclopentyl-2-hydroxy-2-phenyl-acetate

> <PUBCHEM_IUPAC_CAS_NAME>
2-cyclopentyl-2-hydroxy-2-phenylacetic acid 1-azabicyclo[2.2.2]octan-3-yl ester

> <PUBCHEM_IUPAC_NAME_MARKUP>
1-azabicyclo[2.2.2]octan-3-yl 2-cyclopentyl-2-hydroxy-2-phenylacetate

> <PUBCHEM_IUPAC_NAME>
1-azabicyclo[2.2.2]octan-3-yl 2-cyclopentyl-2-hydroxy-2-phenylacetate

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
1-azabicyclo[2.2.2]octan-3-yl 2-cyclopentyl-2-oxidanyl-2-phenyl-ethanoate

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
2-cyclopentyl-2-hydroxy-2-phenyl-acetic acid quinuclidin-3-yl ester

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C20H27NO3/c22-19(24-18-14-21-12-10-15(18)11-13-21)20(23,17-8-4-5-9-17)16-6-2-1-3-7-16/h1-3,6-7,15,17-18,23H,4-5,8-14H2

> <PUBCHEM_IUPAC_INCHIKEY>
RFXCNPOWSCFJCD-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
3.4

> <PUBCHEM_EXACT_MASS>
329.19909372

> <PUBCHEM_MOLECULAR_FORMULA>
C20H27NO3

> <PUBCHEM_MOLECULAR_WEIGHT>
329.4

> <PUBCHEM_OPENEYE_CAN_SMILES>
C1CCC(C1)C(C2=CC=CC=C2)(C(=O)OC3CN4CCC3CC4)O

> <PUBCHEM_OPENEYE_ISO_SMILES>
C1CCC(C1)C(C2=CC=CC=C2)(C(=O)OC3CN4CCC3CC4)O

> <PUBCHEM_CACTVS_TPSA>
49.8

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
329.19909372

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
24

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
2

> <PUBCHEM_BOND_DEF_STEREO_COUNT>
0

> <PUBCHEM_BOND_UDEF_STEREO_COUNT>
0

> <PUBCHEM_ISOTOPIC_ATOM_COUNT>
0

> <PUBCHEM_COMPONENT_COUNT>
1

> <PUBCHEM_CACTVS_TAUTO_COUNT>
-1

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

> <PUBCHEM_BONDANNOTATIONS>
6  1  3
19  20  8
19  21  8
13  2  3
20  22  8
21  23  8
22  24  8
23  24  8

$$$$