
 SCHEMBL461450

 65 68  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
SCHEMBL461450

>  <PubChem CID>
56644792

>  <Formula>
C27H31ClN2O4

>  <Molecular Weight>
483.005000

>  <IUPAC Name>
(2S)-3-[4-[5-[(E)-2-[1-(4-chlorophenyl)cyclohexyl]ethenyl]-1,2,4-oxadiazol-3-yl]-2,6-dimethylphenoxy]propane-1,2-diol

>  <XlogP>
6.7

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
6

>  <Canonical SMILES>
CC1=CC(=CC(=C1OCC(CO)O)C)C2=NOC(=N2)C=CC3(CCCCC3)C4=CC=C(C=C4)Cl

>  <Isomeric SMILES>
CC1=CC(=CC(=C1OC[C@H](CO)O)C)C2=NOC(=N2)/C=C/C3(CCCCC3)C4=CC=C(C=C4)Cl

>  <InChI Std. ID>
InChI=1S/C27H31ClN2O4/c1-18-14-20(15-19(2)25(18)33-17-23(32)16-31)26-29-24(34-30-26)10-13-27(11-4-3-5-12-27)21-6-8-22(28)9-7-21/h6-10,13-15,23,31-32H,3-5,11-12,16-17H2,1-2H3/b13-10+/t23-/m0/s1

>  <InChI Key>
AOBIJMKGHOOWGX-YYVWFHOOSA-N

