
 SCHEMBL17418617

 63 66  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
SCHEMBL17418617

>  <PubChem CID>
118645418

>  <Formula>
C27H29FN2O4

>  <Molecular Weight>
464.537000

>  <IUPAC Name>
(3S)-3-cyclopropyl-3-[3-[[5-(2-fluoro-5-methoxyphenyl)-6-propan-2-ylpyrazin-2-yl]methoxy]phenyl]propanoic acid

>  <XlogP>
4.8

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
7

>  <Canonical SMILES>
CC(C)C1=NC(=CN=C1C2=C(C=CC(=C2)OC)F)COC3=CC=CC(=C3)C(CC(=O)O)C4CC4

>  <Isomeric SMILES>
CC(C)C1=NC(=CN=C1C2=C(C=CC(=C2)OC)F)COC3=CC=CC(=C3)[C@@H](CC(=O)O)C4CC4

>  <InChI Std. ID>
InChI=1S/C27H29FN2O4/c1-16(2)26-27(23-12-20(33-3)9-10-24(23)28)29-14-19(30-26)15-34-21-6-4-5-18(11-21)22(13-25(31)32)17-7-8-17/h4-6,9-12,14,16-17,22H,7-8,13,15H2,1-3H3,(H,31,32)/t22-/m0/s1

>  <InChI Key>
COGZVNSRIYBIFM-QFIPXVFZSA-N

