
 CHEMBL1094155

 70 72  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CHEMBL1094155

>  <PubChem CID>
46887056

>  <Formula>
C30H34FNO4

>  <Molecular Weight>
491.603000

>  <IUPAC Name>
3-[2-[[(1R)-1-(3,5-dimethylphenyl)-3-methylbutyl]carbamoyl]-4-[(3-fluorophenoxy)methyl]phenyl]propanoic acid

>  <XlogP>
6.5

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
CC1=CC(=CC(=C1)C(CC(C)C)NC(=O)C2=C(C=CC(=C2)COC3=CC(=CC=C3)F)CCC(=O)O)C

>  <Isomeric SMILES>
CC1=CC(=CC(=C1)[C@@H](CC(C)C)NC(=O)C2=C(C=CC(=C2)COC3=CC(=CC=C3)F)CCC(=O)O)C

>  <InChI Std. ID>
InChI=1S/C30H34FNO4/c1-19(2)12-28(24-14-20(3)13-21(4)15-24)32-30(35)27-16-22(8-9-23(27)10-11-29(33)34)18-36-26-7-5-6-25(31)17-26/h5-9,13-17,19,28H,10-12,18H2,1-4H3,(H,32,35)(H,33,34)/t28-/m1/s1

>  <InChI Key>
JZCWPRMKQDJDBN-MUUNZHRXSA-N

