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8KF

Summary
Name:2-[(9H-carbazol-3-yl)amino]-5-(trifluoromethyl)benzoic acid
Formula:C20 H13 F3 N2 O2
Formal charge:0
Formula weight:370.325 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
ACDLabs12.012-[(9H-carbazol-3-yl)amino]-5-(trifluoromethyl)benzoic acid
OpenEye OEToolkits2.0.72-(9~{H}-carbazol-3-ylamino)-5-(trifluoromethyl)benzoic acid

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01FC(F)(F)c1ccc(Nc2cc3c4ccccc4[NH]c3cc2)c(c1)C(=O)O
InChIInChI1.03InChI=1S/C20H13F3N2O2/c21-20(22,23)11-5-7-18(15(9-11)19(26)27)24-12-6-8-17-14(10-12)13-3-1-2-4-16(13)25-17/h1-10,24-25H,(H,26,27)
InChIKeyInChI1.03BTPUVXUBUMOBRX-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385OC(=O)c1cc(ccc1Nc2ccc3[nH]c4ccccc4c3c2)C(F)(F)F
SMILESCACTVS3.385OC(=O)c1cc(ccc1Nc2ccc3[nH]c4ccccc4c3c2)C(F)(F)F
SMILES_CANONICALOpenEye OEToolkits2.0.7c1ccc2c(c1)c3cc(ccc3[nH]2)Nc4ccc(cc4C(=O)O)C(F)(F)F
SMILESOpenEye OEToolkits2.0.7c1ccc2c(c1)c3cc(ccc3[nH]2)Nc4ccc(cc4C(=O)O)C(F)(F)F

223532

건을2024-08-07부터공개중

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