
 CHEMBL542179

 67 69  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CHEMBL542179

>  <PubChem CID>
45261099

>  <Formula>
C28H32Cl2N2O3

>  <Molecular Weight>
515.475000

>  <IUPAC Name>
2-[1-[4-[(4-chlorophenyl)-phenylmethyl]piperazin-1-yl]-2-phenylpropan-2-yl]oxyacetic 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)(C4=CC=CC=C4)OCC(=O)O.Cl

>  <Isomeric SMILES>
CC(CN1CCN(CC1)C(C2=CC=CC=C2)C3=CC=C(C=C3)Cl)(C4=CC=CC=C4)OCC(=O)O.Cl

>  <InChI Std. ID>
InChI=1S/C28H31ClN2O3.ClH/c1-28(34-20-26(32)33,24-10-6-3-7-11-24)21-30-16-18-31(19-17-30)27(22-8-4-2-5-9-22)23-12-14-25(29)15-13-23;/h2-15,27H,16-21H2,1H3,(H,32,33);1H

>  <InChI Key>
MRCXWMQCOSXOHR-UHFFFAOYSA-N

