
 FR-181157

 62 65  0  0  0  0  0  0  0  0999 V2000
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M  CHG  2  18  -1  36   1
M  END

>  <Chemical Name>
FR-181157

>  <PubChem CID>
23685469

>  <Formula>
C30H26NNaO4

>  <Molecular Weight>
487.531000

>  <IUPAC Name>
sodium;2-[3-[[(1S)-2-(4,5-diphenyl-1,3-oxazol-2-yl)cyclohex-2-en-1-yl]methyl]phenoxy]acetate

>  <XlogP>
-10000

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
C1CC=C(C(C1)CC2=CC(=CC=C2)OCC(=O)[O-])C3=NC(=C(O3)C4=CC=CC=C4)C5=CC=CC=C5.[Na+]

>  <Isomeric SMILES>
C1CC=C([C@@H](C1)CC2=CC(=CC=C2)OCC(=O)[O-])C3=NC(=C(O3)C4=CC=CC=C4)C5=CC=CC=C5.[Na+]

>  <InChI Std. ID>
InChI=1S/C30H27NO4.Na/c32-27(33)20-34-25-16-9-10-21(19-25)18-24-15-7-8-17-26(24)30-31-28(22-11-3-1-4-12-22)29(35-30)23-13-5-2-6-14-23;/h1-6,9-14,16-17,19,24H,7-8,15,18,20H2,(H,32,33);/q;+1/p-1/t24-;/m0./s1

>  <InChI Key>
DPECFBBZFTXROT-JIDHJSLPSA-M

