
 CHEMBL2047161

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M  END

>  <Chemical Name>
CHEMBL2047161

>  <PubChem CID>
57414542

>  <Formula>
C31H35NO5

>  <Molecular Weight>
501.623000

>  <IUPAC Name>
2-[(3S)-6-[[3-[2,6-dimethyl-4-(1-methylpiperidin-4-yl)oxyphenyl]phenyl]methoxy]-2,3-dihydro-1-benzofuran-3-yl]acetic acid

>  <XlogP>
3.3

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
6

>  <Canonical SMILES>
CC1=CC(=CC(=C1C2=CC(=CC=C2)COC3=CC4=C(C=C3)C(CO4)CC(=O)O)C)OC5CCN(CC5)C

>  <Isomeric SMILES>
CC1=CC(=CC(=C1C2=CC(=CC=C2)COC3=CC4=C(C=C3)[C@@H](CO4)CC(=O)O)C)OC5CCN(CC5)C

>  <InChI Std. ID>
InChI=1S/C31H35NO5/c1-20-13-27(37-25-9-11-32(3)12-10-25)14-21(2)31(20)23-6-4-5-22(15-23)18-35-26-7-8-28-24(16-30(33)34)19-36-29(28)17-26/h4-8,13-15,17,24-25H,9-12,16,18-19H2,1-3H3,(H,33,34)/t24-/m1/s1

>  <InChI Key>
LQXKEVYUMXREMM-XMMPIXPASA-N

