67626630
  -OEChem-04252422502D

 82 85  0     1  0  0  0  0  0999 V2000
   10.4652    5.6200    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   10.4652    7.6200    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.7468    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    6.5011    6.4860    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.6351    5.9860    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.5992    4.1200    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0011    7.3520    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.8671    4.1200    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.3877    7.8128    0.0000 N   0  0  3  0  0  0  0  0  0  0  0  0
    7.0011    5.6200    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    6.1351    5.1200    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    7.8671    5.1200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1351    4.1200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0011    3.6200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5614    6.8281    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    7.8671    6.1200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2690    4.6201    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7954    6.1853    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8557    6.5273    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4481    8.1549    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6820    7.5122    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7331    3.6200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7331    5.6200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8671    7.1200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7298    8.7526    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4030    5.1200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2690    3.6200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1351    6.8520    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5992    6.1200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7331    7.6200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7331    2.6200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5370    4.6200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4030    3.1200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0870    9.5186    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5992    7.1200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1351    7.8520    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5369    3.6201    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5992    2.1200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8671    2.1200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0011    8.3520    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5992    1.1200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8671    1.1200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7331    0.6200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 41 43  2  0  0  0  0
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 43 81  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
67626630

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
910

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
5

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
9

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADcfB/OAAGAAAAAAAAAAAAAAAAAAAAAAA8eMECAAAAAAABUAAAHgIAAAAADEbhmCYyCIMABACIAiHSGACCAAAkBQAIikEIDsgLJjKBtxmPMQhmxgGaqYe42OKOhAAAIAAAAAQIAABAAAAACAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
[1-benzoyl-3-(3,4-dichlorophenyl)-3-[(1-ethyl-2-piperidyl)oxy]-4-phenyl-4-piperidyl] propanoate;hydrochloride

> <PUBCHEM_IUPAC_CAS_NAME>
propanoic acid [1-benzoyl-3-(3,4-dichlorophenyl)-3-[(1-ethyl-2-piperidinyl)oxy]-4-phenyl-4-piperidinyl] ester;hydrochloride

> <PUBCHEM_IUPAC_NAME_MARKUP>
[1-benzoyl-3-(3,4-dichlorophenyl)-3-(1-ethylpiperidin-2-yl)oxy-4-phenylpiperidin-4-yl] propanoate;hydrochloride

> <PUBCHEM_IUPAC_NAME>
[1-benzoyl-3-(3,4-dichlorophenyl)-3-(1-ethylpiperidin-2-yl)oxy-4-phenylpiperidin-4-yl] propanoate;hydrochloride

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
[3-(3,4-dichlorophenyl)-3-(1-ethylpiperidin-2-yl)oxy-4-phenyl-1-(phenylcarbonyl)piperidin-4-yl] propanoate;hydrochloride

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
propionic acid [1-benzoyl-3-(3,4-dichlorophenyl)-3-[(1-ethyl-2-piperidyl)oxy]-4-phenyl-4-piperidyl] ester;hydrochloride

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C34H38Cl2N2O4.ClH/c1-3-31(39)42-33(26-15-9-6-10-16-26)20-22-38(32(40)25-13-7-5-8-14-25)24-34(33,27-18-19-28(35)29(36)23-27)41-30-17-11-12-21-37(30)4-2;/h5-10,13-16,18-19,23,30H,3-4,11-12,17,20-22,24H2,1-2H3;1H

> <PUBCHEM_IUPAC_INCHIKEY>
CMOYAWUGWBGIQB-UHFFFAOYSA-N

> <PUBCHEM_EXACT_MASS>
644.197541

> <PUBCHEM_MOLECULAR_FORMULA>
C34H39Cl3N2O4

> <PUBCHEM_MOLECULAR_WEIGHT>
646.0

> <PUBCHEM_OPENEYE_CAN_SMILES>
CCC(=O)OC1(CCN(CC1(C2=CC(=C(C=C2)Cl)Cl)OC3CCCCN3CC)C(=O)C4=CC=CC=C4)C5=CC=CC=C5.Cl

> <PUBCHEM_OPENEYE_ISO_SMILES>
CCC(=O)OC1(CCN(CC1(C2=CC(=C(C=C2)Cl)Cl)OC3CCCCN3CC)C(=O)C4=CC=CC=C4)C5=CC=CC=C5.Cl

> <PUBCHEM_CACTVS_TPSA>
59.1

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
644.197541

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
43

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
3

> <PUBCHEM_BOND_DEF_STEREO_COUNT>
0

> <PUBCHEM_BOND_UDEF_STEREO_COUNT>
0

> <PUBCHEM_ISOTOPIC_ATOM_COUNT>
0

> <PUBCHEM_COMPONENT_COUNT>
2

> <PUBCHEM_CACTVS_TAUTO_COUNT>
-1

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

> <PUBCHEM_BONDANNOTATIONS>
16  23  8
16  24  8
17  26  8
17  27  8
23  29  8
24  30  8
26  32  8
27  33  8
29  35  8
30  35  8
31  38  8
31  39  8
32  37  8
33  37  8
38  41  8
39  42  8
10  4  3
15  4  3
41  43  8
42  43  8
11  5  3

$$$$