
 CHEMBL3926143

 82 85  0  0  0  0  0  0  0  0999 V2000
    1.2374   -0.8259   -1.9224 C   0  0  0  0  0
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    3.2814    0.5620   -1.4091 C   0  0  0  0  0
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    9.0572    2.3690   -3.9410 N   0  0  0  0  0
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    1.5635   15.4839   -7.8427 O   0  0  0  0  0
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   -0.8012    0.2236    2.1398 Cl  0  0  0  0  0
    0.9480    0.0647   -2.5194 H   0  0  0  0  0
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    6.2823   -0.3196    1.7579 H   0  0  0  0  0
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    9.4924   -1.7990    0.5071 H   0  0  0  0  0
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    8.1409    3.6477   -2.4872 H   0  0  0  0  0
    9.6103    2.8236   -1.9417 H   0  0  0  0  0
   10.0748    0.8454   -5.0398 H   0  0  0  0  0
   10.7626    1.2187   -3.4374 H   0  0  0  0  0
    8.1117   -0.2772   -3.9745 H   0  0  0  0  0
    9.6415   -0.9932   -3.4060 H   0  0  0  0  0
    7.2209    1.5664   -4.7137 H   0  0  0  0  0
    8.3104    2.2712   -5.9348 H   0  0  0  0  0
    8.8621    4.9224   -5.4204 H   0  0  0  0  0
    7.6287    7.0556   -5.2888 H   0  0  0  0  0
    4.0741    4.9199   -4.1049 H   0  0  0  0  0
    5.2986    2.8004   -4.2388 H   0  0  0  0  0
    5.5101    8.0940   -3.8476 H   0  0  0  0  0
    3.9665    7.2547   -4.2746 H   0  0  0  0  0
    5.0798    9.2359   -8.1541 H   0  0  0  0  0
    3.9740   11.3554   -8.7481 H   0  0  0  0  0
    2.4189   11.6590   -4.7375 H   0  0  0  0  0
    3.5221    9.5632   -4.1438 H   0  0  0  0  0
    1.8053   13.3045   -6.2915 H   0  0  0  0  0
    1.7513   12.7741   -8.0096 H   0  0  0  0  0
    4.0726   13.7594   -8.3356 H   0  0  0  0  0
    4.0916   14.2265   -6.5918 H   0  0  0  0  0
    3.1598   17.3072   -8.3122 H   0  0  0  0  0
    0.0291    0.9212    2.9863 H   0  0  0  0  0
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M  END

>  <Chemical Name>
CHEMBL3926143

>  <PubChem CID>
134141489

>  <Formula>
C34H42ClNO4

>  <Molecular Weight>
564.163000

>  <IUPAC Name>
3-[4-[[4-[[4-[(4-methylphenyl)methyl]-1-oxa-9-azaspiro[5.5]undecan-9-yl]methyl]phenyl]methoxy]phenyl]propanoic acid;hydrochloride

>  <XlogP>
-10000

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
CC1=CC=C(C=C1)CC2CCOC3(C2)CCN(CC3)CC4=CC=C(C=C4)COC5=CC=C(C=C5)CCC(=O)O.Cl

>  <Isomeric SMILES>
CC1=CC=C(C=C1)CC2CCOC3(C2)CCN(CC3)CC4=CC=C(C=C4)COC5=CC=C(C=C5)CCC(=O)O.Cl

>  <InChI Std. ID>
InChI=1S/C34H41NO4.ClH/c1-26-2-4-28(5-3-26)22-31-16-21-39-34(23-31)17-19-35(20-18-34)24-29-6-8-30(9-7-29)25-38-32-13-10-27(11-14-32)12-15-33(36)37;/h2-11,13-14,31H,12,15-25H2,1H3,(H,36,37);1H

>  <InChI Key>
RRAJXYIZBSSZOQ-UHFFFAOYSA-N

