
 CHEMBL3730717

 63 67  0  0  0  0  0  0  0  0999 V2000
    2.9066   -1.7353   -3.1324 C   0  0  0  0  0
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    4.3433    1.2311   -1.0224 O   0  0  0  0  0
    3.0322   -1.1282   -4.0342 H   0  0  0  0  0
    1.8318   -1.8266   -2.9429 H   0  0  0  0  0
    3.3630   -2.7121   -3.3213 H   0  0  0  0  0
    2.3687   -3.4282   -1.3241 H   0  0  0  0  0
    2.2824   -4.2862    0.9570 H   0  0  0  0  0
    3.3279   -3.0250    2.8167 H   0  0  0  0  0
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    4.6772    1.0179    0.9552 H   0  0  0  0  0
    6.5049   -0.7651   -0.6765 H   0  0  0  0  0
    6.1434    2.6077    1.0241 H   0  0  0  0  0
    7.7830    2.9803    2.8811 H   0  0  0  0  0
    7.2635    1.2922    2.8554 H   0  0  0  0  0
    9.9465    2.2789    2.6696 H   0  0  0  0  0
    9.4331    0.6166    2.5554 H   0  0  0  0  0
    8.9233   -0.3379    0.5381 H   0  0  0  0  0
   10.4488    0.1434   -1.2937 H   0  0  0  0  0
    7.2661   -0.7473   -3.1266 H   0  0  0  0  0
    6.7677   -3.0594   -3.7372 H   0  0  0  0  0
    8.2034   -4.9147   -2.9298 H   0  0  0  0  0
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    7.8809    4.3226    0.7076 H   0  0  0  0  0
    7.5962    3.5105   -0.8271 H   0  0  0  0  0
    3.8992    0.6254   -1.6421 H   0  0  0  0  0
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  1 35  1  0  0  0
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  7 39  1  0  0  0
  8  9  1  0  0  0
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  9 10  1  0  0  0
  9 40  1  0  0  0
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M  END

>  <Chemical Name>
CHEMBL3730717

>  <PubChem CID>
11718827

>  <Formula>
C29H31NO2

>  <Molecular Weight>
425.572000

>  <IUPAC Name>
(2E)-2-(2-benzhydryl-1-azabicyclo[2.2.2]octan-3-ylidene)-1-(2-methoxyphenyl)ethanol

>  <XlogP>
4.9

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
COC1=CC=CC=C1C(C=C2C3CCN(C2C(C4=CC=CC=C4)C5=CC=CC=C5)CC3)O

>  <Isomeric SMILES>
COC1=CC=CC=C1C(/C=C/2\C3CCN(C2C(C4=CC=CC=C4)C5=CC=CC=C5)CC3)O

>  <InChI Std. ID>
InChI=1S/C29H31NO2/c1-32-27-15-9-8-14-24(27)26(31)20-25-21-16-18-30(19-17-21)29(25)28(22-10-4-2-5-11-22)23-12-6-3-7-13-23/h2-15,20-21,26,28-29,31H,16-19H2,1H3/b25-20+

>  <InChI Key>
ACNNRRQKRUXREB-LKUDQCMESA-N

