71542
  -OEChem-05042420322D

 53 56  0     1  0  0  0  0  0999 V2000
    6.3961    0.3376    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.1382    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.6030    2.3435    0.0000 N   0  0  3  0  0  0  0  0  0  0  0  0
    7.2622   -3.1624    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.1030    1.4774    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    7.0367    1.5638    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    8.1282    0.3376    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    9.0941    0.0788    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1239    2.5600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3226    2.3310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8226    3.1970    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0519    1.3902    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2622   -0.1624    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    7.2622   -1.1624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4091    2.1563    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3961   -1.6624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1282   -1.6624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3961   -2.6624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5022   -1.1277    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1282   -2.6624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5022   -3.1970    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5961   -1.6415    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5961   -2.6832    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8641   -1.6349    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.1315    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9290    2.0725    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0778    0.9452    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6605    0.6555    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9852   -0.5315    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.7115    0.0222    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2018    3.1751    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5074    2.6260    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.6632    1.8129    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.8503    2.6564    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.3503    3.5225    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4820    3.7151    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5150    1.0802    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2639    0.8076    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7252   -0.4724    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8841    2.5548    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0106    2.6313    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9342    1.7578    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8592    0.0277    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6651   -1.3524    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5094   -0.5077    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6651   -2.9724    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5094   -3.8170    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0604   -2.9952    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4637   -2.1083    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2608   -2.1113    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3121   -0.5958    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4643   -0.8195    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6879   -1.6673    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 13  1  0  0  0  0
  1 43  1  0  0  0  0
  2 22  1  0  0  0  0
  2 24  1  0  0  0  0
  3  7  1  0  0  0  0
  3  9  1  0  0  0  0
  3 11  1  0  0  0  0
  4 18  2  0  0  0  0
  4 20  1  0  0  0  0
  5  6  1  0  0  0  0
  5  8  1  0  0  0  0
  5 10  1  0  0  0  0
  5 26  1  0  0  0  0
  6  9  1  0  0  0  0
  6 12  1  0  0  0  0
  6 27  1  0  0  0  0
  7  8  1  0  0  0  0
  7 13  1  0  0  0  0
  7 28  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 11  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 15  1  0  0  0  0
 12 37  1  0  0  0  0
 12 38  1  0  0  0  0
 13 14  1  0  0  0  0
 13 39  1  0  0  0  0
 14 16  2  0  0  0  0
 14 17  1  0  0  0  0
 15 40  1  0  0  0  0
 15 41  1  0  0  0  0
 15 42  1  0  0  0  0
 16 18  1  0  0  0  0
 16 19  1  0  0  0  0
 17 20  2  0  0  0  0
 17 44  1  0  0  0  0
 18 21  1  0  0  0  0
 19 22  2  0  0  0  0
 19 45  1  0  0  0  0
 20 46  1  0  0  0  0
 21 23  2  0  0  0  0
 21 47  1  0  0  0  0
 22 23  1  0  0  0  0
 23 48  1  0  0  0  0
 24 25  1  0  0  0  0
 24 49  1  0  0  0  0
 24 50  1  0  0  0  0
 25 51  1  0  0  0  0
 25 52  1  0  0  0  0
 25 53  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
71542

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
446

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
4

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
5

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB7MAAAAAAAAAAAAAAAAAAAAAAAAAA8WLFiAAAAAACx8AAAHgAACAAADTzhngY+xvMIFgCgAzRnRACCiCAxIiAI2CA+bJgONuLEsZuGeCjkwBHY+Aew4PwOgEABAAACAAAAgAIAAAQAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
(6-ethoxy-4-quinolyl)-(5-ethylquinuclidin-2-yl)methanol

> <PUBCHEM_IUPAC_CAS_NAME>
(6-ethoxy-4-quinolinyl)-(5-ethyl-1-azabicyclo[2.2.2]octan-2-yl)methanol

> <PUBCHEM_IUPAC_NAME_MARKUP>
(6-ethoxyquinolin-4-yl)-(5-ethyl-1-azabicyclo[2.2.2]octan-2-yl)methanol

> <PUBCHEM_IUPAC_NAME>
(6-ethoxyquinolin-4-yl)-(5-ethyl-1-azabicyclo[2.2.2]octan-2-yl)methanol

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
(6-ethoxyquinolin-4-yl)-(5-ethyl-1-azabicyclo[2.2.2]octan-2-yl)methanol

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
(6-ethoxy-4-quinolyl)-(5-ethylquinuclidin-2-yl)methanol

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C21H28N2O2/c1-3-14-13-23-10-8-15(14)11-20(23)21(24)17-7-9-22-19-6-5-16(25-4-2)12-18(17)19/h5-7,9,12,14-15,20-21,24H,3-4,8,10-11,13H2,1-2H3

> <PUBCHEM_IUPAC_INCHIKEY>
SUWZHLCNFQWNPE-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3>
3.5

> <PUBCHEM_EXACT_MASS>
340.215078140

> <PUBCHEM_MOLECULAR_FORMULA>
C21H28N2O2

> <PUBCHEM_MOLECULAR_WEIGHT>
340.5

> <PUBCHEM_OPENEYE_CAN_SMILES>
CCC1CN2CCC1CC2C(C3=C4C=C(C=CC4=NC=C3)OCC)O

> <PUBCHEM_OPENEYE_ISO_SMILES>
CCC1CN2CCC1CC2C(C3=C4C=C(C=CC4=NC=C3)OCC)O

> <PUBCHEM_CACTVS_TPSA>
45.6

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
340.215078140

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
25

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
4

> <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>
13  1  3
14  16  8
14  17  8
16  18  8
16  19  8
17  20  8
18  21  8
19  22  8
21  23  8
22  23  8
4  18  8
4  20  8
5  10  3
6  12  3
7  8  3

$$$$