
 CHEMBL543848

 60 61  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CHEMBL543848

>  <PubChem CID>
45261053

>  <Formula>
C23H30Cl2N2O3

>  <Molecular Weight>
453.404000

>  <IUPAC Name>
2-[3-[4-[(4-chlorophenyl)-phenylmethyl]piperazin-1-yl]-2-methylpropoxy]acetic acid;hydrochloride

>  <XlogP>
-10000

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
CC(CN1CCN(CC1)C(C2=CC=CC=C2)C3=CC=C(C=C3)Cl)COCC(=O)O.Cl

>  <Isomeric SMILES>
CC(CN1CCN(CC1)C(C2=CC=CC=C2)C3=CC=C(C=C3)Cl)COCC(=O)O.Cl

>  <InChI Std. ID>
InChI=1S/C23H29ClN2O3.ClH/c1-18(16-29-17-22(27)28)15-25-11-13-26(14-12-25)23(19-5-3-2-4-6-19)20-7-9-21(24)10-8-20;/h2-10,18,23H,11-17H2,1H3,(H,27,28);1H

>  <InChI Key>
UKQWWYAUPITQBC-UHFFFAOYSA-N

