LOO

2-[4-[[2,5-bis(oxidanylidene)-3-[4-(trifluoromethyl)phenyl]imidazolidin-1-yl]methyl]-2,6-dimethyl-phenoxy]-2-methyl-propanoic acid

Created: 2022-12-01
Last modified:  2023-09-06

Help

Find related ligands:

Chemical Details

Formal Charge0
Atom Count56
Chiral Atom Count0
Bond Count58
Aromatic Bond Count12
2D diagram of LOO
Toggle HydrogenToggle Labels

Chemical Component Summary

Name2-[4-[[2,5-bis(oxidanylidene)-3-[4-(trifluoromethyl)phenyl]imidazolidin-1-yl]methyl]-2,6-dimethyl-phenoxy]-2-methyl-propanoic acid
Systematic Name (OpenEye OEToolkits)2-[4-[[2,5-bis(oxidanylidene)-3-[4-(trifluoromethyl)phenyl]imidazolidin-1-yl]methyl]-2,6-dimethyl-phenoxy]-2-methyl-propanoic acid
FormulaC23 H23 F3 N2 O5
Molecular Weight464.434
TypeNON-POLYMER

Chemical Descriptors

TypeProgram Version Descriptor
SMILESCACTVS3.385Cc1cc(CN2C(=O)CN(C2=O)c3ccc(cc3)C(F)(F)F)cc(C)c1OC(C)(C)C(O)=O
SMILESOpenEye OEToolkits2.0.7Cc1cc(cc(c1OC(C)(C)C(=O)O)C)CN2C(=O)CN(C2=O)c3ccc(cc3)C(F)(F)F
Canonical SMILESCACTVS3.385 Cc1cc(CN2C(=O)CN(C2=O)c3ccc(cc3)C(F)(F)F)cc(C)c1OC(C)(C)C(O)=O
Canonical SMILESOpenEye OEToolkits2.0.7 Cc1cc(cc(c1OC(C)(C)C(=O)O)C)CN2C(=O)CN(C2=O)c3ccc(cc3)C(F)(F)F
InChIInChI1.06 InChI=1S/C23H23F3N2O5/c1-13-9-15(10-14(2)19(13)33-22(3,4)20(30)31)11-28-18(29)12-27(21(28)32)17-7-5-16(6-8-17)23(24,25)26/h5-10H,11-12H2,1-4H3,(H,30,31)
InChIKeyInChI1.06 BIIFAYFKMQRXPQ-UHFFFAOYSA-N

Related Resource References

Resource NameReference
PubChem 168477242