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F8A

Summary
Name:9-[2-(trifluoromethyl)benzyl]-2,3,4,9-tetrahydro-1H-carbazole-8-carboxylic acid
Formula:C21 H18 F3 N O2
Formal charge:0
Formula weight:373.368 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs10.049-[2-(trifluoromethyl)benzyl]-2,3,4,9-tetrahydro-1H-carbazole-8-carboxylic acid
OpenEye OEToolkits1.5.09-[[2-(trifluoromethyl)phenyl]methyl]-5,6,7,8-tetrahydrocarbazole-1-carboxylic acid

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04FC(F)(F)c1ccccc1Cn3c2c(C(=O)O)cccc2c4c3CCCC4
SMILES_CANONICALCACTVS3.341OC(=O)c1cccc2c3CCCCc3n(Cc4ccccc4C(F)(F)F)c12
SMILESCACTVS3.341OC(=O)c1cccc2c3CCCCc3n(Cc4ccccc4C(F)(F)F)c12
SMILES_CANONICALOpenEye OEToolkits1.5.0c1ccc(c(c1)Cn2c3c(c4c2c(ccc4)C(=O)O)CCCC3)C(F)(F)F
SMILESOpenEye OEToolkits1.5.0c1ccc(c(c1)Cn2c3c(c4c2c(ccc4)C(=O)O)CCCC3)C(F)(F)F
InChIInChI1.03InChI=1S/C21H18F3NO2/c22-21(23,24)17-10-3-1-6-13(17)12-25-18-11-4-2-7-14(18)15-8-5-9-16(19(15)25)20(26)27/h1,3,5-6,8-10H,2,4,7,11-12H2,(H,26,27)
InChIKeyInChI1.03XAYKLHUEULGGGJ-UHFFFAOYSA-N

218500

PDB entries from 2024-04-17

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