
 CHEMBL3963542

 79 82  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CHEMBL3963542

>  <PubChem CID>
134151150

>  <Formula>
C33H40ClNO4

>  <Molecular Weight>
550.136000

>  <IUPAC Name>
3-[4-[[4-[(4-benzyl-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>
C1COC2(CCN(CC2)CC3=CC=C(C=C3)COC4=CC=C(C=C4)CCC(=O)O)CC1CC5=CC=CC=C5.Cl

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

>  <InChI Std. ID>
InChI=1S/C33H39NO4.ClH/c35-32(36)15-12-26-10-13-31(14-11-26)37-25-29-8-6-28(7-9-29)24-34-19-17-33(18-20-34)23-30(16-21-38-33)22-27-4-2-1-3-5-27;/h1-11,13-14,30H,12,15-25H2,(H,35,36);1H

>  <InChI Key>
KJXPELYXGINIOF-UHFFFAOYSA-N

