
 CHEMBL599213

 70 72  0  0  0  0  0  0  0  0999 V2000
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    1.4629  -13.2265   -4.3837 H   0  0  0  0  0
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    1.9664   -4.7611    4.9664 H   0  0  0  0  0
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M  END

>  <Chemical Name>
CHEMBL599213

>  <PubChem CID>
23016978

>  <Formula>
C30H33F2NO4

>  <Molecular Weight>
509.594000

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

>  <XlogP>
6.6

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
6

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

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

>  <InChI Std. ID>
InChI=1S/C30H33F2NO4/c1-18(2)12-26(23-14-19(3)13-20(4)15-23)33-30(36)24-16-21(8-9-22(24)10-11-28(34)35)17-37-27-7-5-6-25(31)29(27)32/h5-9,13-16,18,26H,10-12,17H2,1-4H3,(H,33,36)(H,34,35)

>  <InChI Key>
DAPQMHVIKFLWDP-UHFFFAOYSA-N

