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058

Summary
Name:1-benzyl-5-chloro-3-(2-fluorophenyl)-1H-indole-2-carboxylic acid
Formula:C22 H15 Cl F N O2
Formal charge:0
Formula weight:379.811 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.011-benzyl-5-chloro-3-(2-fluorophenyl)-1H-indole-2-carboxylic acid
OpenEye OEToolkits1.7.25-chloranyl-3-(2-fluorophenyl)-1-(phenylmethyl)indole-2-carboxylic acid

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01Fc4ccccc4c2c1cc(Cl)ccc1n(c2C(=O)O)Cc3ccccc3
InChIInChI1.03InChI=1S/C22H15ClFNO2/c23-15-10-11-19-17(12-15)20(16-8-4-5-9-18(16)24)21(22(26)27)25(19)13-14-6-2-1-3-7-14/h1-12H,13H2,(H,26,27)
InChIKeyInChI1.03IOOYKINARCKSEF-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.370OC(=O)c1n(Cc2ccccc2)c3ccc(Cl)cc3c1c4ccccc4F
SMILESCACTVS3.370OC(=O)c1n(Cc2ccccc2)c3ccc(Cl)cc3c1c4ccccc4F
SMILES_CANONICALOpenEye OEToolkits1.7.2c1ccc(cc1)Cn2c3ccc(cc3c(c2C(=O)O)c4ccccc4F)Cl
SMILESOpenEye OEToolkits1.7.2c1ccc(cc1)Cn2c3ccc(cc3c(c2C(=O)O)c4ccccc4F)Cl

224931

數據於2024-09-11公開中

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