
 CHEMBL539533

 70 73  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CHEMBL539533

>  <PubChem CID>
45264744

>  <Formula>
C31H32Cl2N2O3

>  <Molecular Weight>
551.508000

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

>  <XlogP>
-10000

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
C1CN(CCN1CC(C2=CC=CC3=CC=CC=C32)OCC(=O)O)C(C4=CC=CC=C4)C5=CC=C(C=C5)Cl.Cl

>  <Isomeric SMILES>
C1CN(CCN1CC(C2=CC=CC3=CC=CC=C32)OCC(=O)O)C(C4=CC=CC=C4)C5=CC=C(C=C5)Cl.Cl

>  <InChI Std. ID>
InChI=1S/C31H31ClN2O3.ClH/c32-26-15-13-25(14-16-26)31(24-8-2-1-3-9-24)34-19-17-33(18-20-34)21-29(37-22-30(35)36)28-12-6-10-23-7-4-5-11-27(23)28;/h1-16,29,31H,17-22H2,(H,35,36);1H

>  <InChI Key>
ULFVBUNOKBVUMF-UHFFFAOYSA-N

