
 CHEMBL3793957

 60 62  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CHEMBL3793957

>  <PubChem CID>
127028866

>  <Formula>
C24H30N2O4

>  <Molecular Weight>
410.514000

>  <IUPAC Name>
2-[1-[2-(N-benzoyl-2,4-dimethylanilino)ethyl]piperidin-4-yl]oxyacetic acid

>  <XlogP>
1.4

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
CC1=CC(=C(C=C1)N(CCN2CCC(CC2)OCC(=O)O)C(=O)C3=CC=CC=C3)C

>  <Isomeric SMILES>
CC1=CC(=C(C=C1)N(CCN2CCC(CC2)OCC(=O)O)C(=O)C3=CC=CC=C3)C

>  <InChI Std. ID>
InChI=1S/C24H30N2O4/c1-18-8-9-22(19(2)16-18)26(24(29)20-6-4-3-5-7-20)15-14-25-12-10-21(11-13-25)30-17-23(27)28/h3-9,16,21H,10-15,17H2,1-2H3,(H,27,28)

>  <InChI Key>
AHHLHGMBGXSSSV-UHFFFAOYSA-N

