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Summary

Name:fevipiprant
Synonyms:(2-methyl-1-{[4-(methylsulfonyl)-2-(trifluoromethyl)phenyl]methyl}-1H-pyrrolo[2,3-b]pyridin-3-yl)acetic acid
Formula:C19 H17 F3 N2 O4 S
Formal charge:0
Molecular weight:426.409 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.01(2-methyl-1-{[4-(methylsulfonyl)-2-(trifluoromethyl)phenyl]methyl}-1H-pyrrolo[2,3-b]pyridin-3-yl)acetic acid
OpenEye OEToolkits2.0.62-[2-methyl-1-[[4-methylsulfonyl-2-(trifluoromethyl)phenyl]methyl]pyrrolo[2,3-b]pyridin-3-yl]ethanoic acid

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01OC(Cc1c3c(n(c1C)Cc2ccc(cc2C(F)(F)F)S(=O)(=O)C)nccc3)=O
InChIInChI1.03InChI=1S/C19H17F3N2O4S/c1-11-15(9-17(25)26)14-4-3-7-23-18(14)24(11)10-12-5-6-13(29(2,27)28)8-16(12)19(20,21)22/h3-8H,9-10H2,1-2H3,(H,25,26)
InChIKeyInChI1.03GFPPXZDRVCSVNR-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385Cc1n(Cc2ccc(cc2C(F)(F)F)[S](C)(=O)=O)c3ncccc3c1CC(O)=O
SMILESCACTVS3.385Cc1n(Cc2ccc(cc2C(F)(F)F)[S](C)(=O)=O)c3ncccc3c1CC(O)=O
SMILES_CANONICALOpenEye OEToolkits2.0.6Cc1c(c2cccnc2n1Cc3ccc(cc3C(F)(F)F)S(=O)(=O)C)CC(=O)O
SMILESOpenEye OEToolkits2.0.6Cc1c(c2cccnc2n1Cc3ccc(cc3C(F)(F)F)S(=O)(=O)C)CC(=O)O