
 CHEMBL3265141

 78 81  0  0  0  0  0  0  0  0999 V2000
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    5.0969    5.1844    0.5840 H   0  0  0  0  0
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M  END

>  <Chemical Name>
CHEMBL3265141

>  <PubChem CID>
57707214

>  <Formula>
C33H39FO5

>  <Molecular Weight>
534.668000

>  <IUPAC Name>
(3S)-3-cyclopropyl-3-[3-[[3-[(1R)-1-ethoxy-2,2-dimethylpropyl]-4-(2-fluoro-5-methoxyphenyl)phenyl]methoxy]phenyl]propanoic acid

>  <XlogP>
7.5

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
6

>  <Canonical SMILES>
CCOC(C1=C(C=CC(=C1)COC2=CC=CC(=C2)C(CC(=O)O)C3CC3)C4=C(C=CC(=C4)OC)F)C(C)(C)C

>  <Isomeric SMILES>
CCO[C@@H](C1=C(C=CC(=C1)COC2=CC=CC(=C2)[C@@H](CC(=O)O)C3CC3)C4=C(C=CC(=C4)OC)F)C(C)(C)C

>  <InChI Std. ID>
InChI=1S/C33H39FO5/c1-6-38-32(33(2,3)4)29-16-21(10-14-26(29)28-18-24(37-5)13-15-30(28)34)20-39-25-9-7-8-23(17-25)27(19-31(35)36)22-11-12-22/h7-10,13-18,22,27,32H,6,11-12,19-20H2,1-5H3,(H,35,36)/t27-,32-/m0/s1

>  <InChI Key>
AAXGNQYETKQKSK-UCGGBYDDSA-N

