
 CHEMBL3908908

 72 75  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CHEMBL3908908

>  <PubChem CID>
117903360

>  <Formula>
C31H34FNO5

>  <Molecular Weight>
519.613000

>  <IUPAC Name>
4-[[3-(3-fluorophenyl)propyl-[4-(2-methoxyphenoxy)cyclohexanecarbonyl]amino]methyl]benzoic acid

>  <XlogP>
6.0

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
6

>  <Canonical SMILES>
COC1=CC=CC=C1OC2CCC(CC2)C(=O)N(CCCC3=CC(=CC=C3)F)CC4=CC=C(C=C4)C(=O)O

>  <Isomeric SMILES>
COC1=CC=CC=C1OC2CCC(CC2)C(=O)N(CCCC3=CC(=CC=C3)F)CC4=CC=C(C=C4)C(=O)O

>  <InChI Std. ID>
InChI=1S/C31H34FNO5/c1-37-28-9-2-3-10-29(28)38-27-17-15-24(16-18-27)30(34)33(19-5-7-22-6-4-8-26(32)20-22)21-23-11-13-25(14-12-23)31(35)36/h2-4,6,8-14,20,24,27H,5,7,15-19,21H2,1H3,(H,35,36)

>  <InChI Key>
UBQWZKKHKXFYKG-UHFFFAOYSA-N

