
 CHEMBL543484

 60 60  0  0  0  0  0  0  0  0999 V2000
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    1.4155   -1.4567    1.7855 Cl  0  0  0  0  0
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    8.2684    1.1071    4.5436 H   0  0  0  0  0
   10.5370    2.2280    2.8125 H   0  0  0  0  0
    9.3552    3.2132    3.7622 H   0  0  0  0  0
    7.5701    2.2428    2.4542 H   0  0  0  0  0
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    7.8237    3.3584    0.4292 H   0  0  0  0  0
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    7.9499    2.3076   -3.7292 H   0  0  0  0  0
    7.6790    0.5644   -5.4429 H   0  0  0  0  0
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    0.9949   -0.1562    1.9405 H   0  0  0  0  0
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M  END

>  <Chemical Name>
CHEMBL543484

>  <PubChem CID>
45259207

>  <Formula>
C20H33ClN2O4

>  <Molecular Weight>
400.944000

>  <IUPAC Name>
N-[2-[[3-[4-[2-(cyclobutylmethoxy)ethyl]phenoxy]-2-hydroxypropyl]amino]ethyl]acetamide;hydrochloride

>  <XlogP>
-10000

>  <Hydrogen Bond Donors>
4

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
CC(=O)NCCNCC(COC1=CC=C(C=C1)CCOCC2CCC2)O.Cl

>  <Isomeric SMILES>
CC(=O)NCCNCC(COC1=CC=C(C=C1)CCOCC2CCC2)O.Cl

>  <InChI Std. ID>
InChI=1S/C20H32N2O4.ClH/c1-16(23)22-11-10-21-13-19(24)15-26-20-7-5-17(6-8-20)9-12-25-14-18-3-2-4-18;/h5-8,18-19,21,24H,2-4,9-15H2,1H3,(H,22,23);1H

>  <InChI Key>
DMQAGBZSMJNGCU-UHFFFAOYSA-N

