
 CHEMBL558799

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M  END

>  <Chemical Name>
CHEMBL558799

>  <PubChem CID>
45264934

>  <Formula>
C28H32Cl2N2O3

>  <Molecular Weight>
515.475000

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

>  <XlogP>
-10000

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
C1CN(CCN1CCOCC2=CC=C(C=C2)CC(=O)O)C(C3=CC=CC=C3)C4=CC=C(C=C4)Cl.Cl

>  <Isomeric SMILES>
C1CN(CCN1CCOCC2=CC=C(C=C2)CC(=O)O)C(C3=CC=CC=C3)C4=CC=C(C=C4)Cl.Cl

>  <InChI Std. ID>
InChI=1S/C28H31ClN2O3.ClH/c29-26-12-10-25(11-13-26)28(24-4-2-1-3-5-24)31-16-14-30(15-17-31)18-19-34-21-23-8-6-22(7-9-23)20-27(32)33;/h1-13,28H,14-21H2,(H,32,33);1H

>  <InChI Key>
HSYVDSJKSDYIPE-UHFFFAOYSA-N

