
 SCHEMBL17419038

 66 69  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
SCHEMBL17419038

>  <PubChem CID>
118645789

>  <Formula>
C28H31FN2O4

>  <Molecular Weight>
478.564000

>  <IUPAC Name>
(3S)-3-[3-[[6-butyl-5-(2-fluoro-5-methoxyphenyl)pyrazin-2-yl]methoxy]phenyl]-3-cyclopropylpropanoic acid

>  <XlogP>
5.4

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
7

>  <Canonical SMILES>
CCCCC1=NC(=CN=C1C2=C(C=CC(=C2)OC)F)COC3=CC=CC(=C3)C(CC(=O)O)C4CC4

>  <Isomeric SMILES>
CCCCC1=NC(=CN=C1C2=C(C=CC(=C2)OC)F)COC3=CC=CC(=C3)[C@@H](CC(=O)O)C4CC4

>  <InChI Std. ID>
InChI=1S/C28H31FN2O4/c1-3-4-8-26-28(24-14-21(34-2)11-12-25(24)29)30-16-20(31-26)17-35-22-7-5-6-19(13-22)23(15-27(32)33)18-9-10-18/h5-7,11-14,16,18,23H,3-4,8-10,15,17H2,1-2H3,(H,32,33)/t23-/m0/s1

>  <InChI Key>
CAASMGSVVAKSNP-QHCPKHFHSA-N

