
 CHEMBL3941821

 79 82  0  0  0  0  0  0  0  0999 V2000
   -2.9553    0.1473    0.5482 C   0  0  0  0  0
   -1.7093    0.8837    1.0661 C   0  0  0  0  0
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    4.9131   -5.0914   -1.6328 H   0  0  0  0  0
    3.2239   -3.3669   -2.0129 H   0  0  0  0  0
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    8.2797   -4.4495   -1.0192 H   0  0  0  0  0
    6.1174   -8.5022   -0.8952 H   0  0  0  0  0
    7.4933  -10.5448   -0.8220 H   0  0  0  0  0
   11.0579   -8.1213   -0.6528 H   0  0  0  0  0
    9.7012   -6.1053   -0.6946 H   0  0  0  0  0
   10.9169  -10.7341   -1.5354 H   0  0  0  0  0
    9.5927  -11.6360   -0.7112 H   0  0  0  0  0
   10.3486  -10.7512    1.5111 H   0  0  0  0  0
   11.7014   -9.8712    0.7064 H   0  0  0  0  0
   13.2971  -12.8707    1.9699 H   0  0  0  0  0
   -1.1418   -1.6894   -1.7614 H   0  0  0  0  0
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M  END

>  <Chemical Name>
CHEMBL3941821

>  <PubChem CID>
134146590

>  <Formula>
C33H39ClFNO4

>  <Molecular Weight>
568.126000

>  <IUPAC Name>
3-[4-[[4-[[4-[(4-fluorophenyl)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>
6

>  <Canonical SMILES>
C1COC2(CCN(CC2)CC3=CC=C(C=C3)COC4=CC=C(C=C4)CCC(=O)O)CC1CC5=CC=C(C=C5)F.Cl

>  <Isomeric SMILES>
C1COC2(CCN(CC2)CC3=CC=C(C=C3)COC4=CC=C(C=C4)CCC(=O)O)CC1CC5=CC=C(C=C5)F.Cl

>  <InChI Std. ID>
InChI=1S/C33H38FNO4.ClH/c34-30-10-5-26(6-11-30)21-29-15-20-39-33(22-29)16-18-35(19-17-33)23-27-1-3-28(4-2-27)24-38-31-12-7-25(8-13-31)9-14-32(36)37;/h1-8,10-13,29H,9,14-24H2,(H,36,37);1H

>  <InChI Key>
XSYVABUHWWDTQM-UHFFFAOYSA-N

