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5BJ

Summary
Name:4-(naphthalen-1-yl)-1H-indole-2-carboxylic acid
Formula:C19 H13 N O2
Formal charge:0
Formula weight:287.312 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.014-(naphthalen-1-yl)-1H-indole-2-carboxylic acid
OpenEye OEToolkits1.9.24-naphthalen-1-yl-1H-indole-2-carboxylic acid

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01c14c(cccc1c3cccc2ccccc23)nc(C(O)=O)c4
InChIInChI1.03InChI=1S/C19H13NO2/c21-19(22)18-11-16-15(9-4-10-17(16)20-18)14-8-3-6-12-5-1-2-7-13(12)14/h1-11,20H,(H,21,22)
InChIKeyInChI1.03QVAVQSOUZBBMKK-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385OC(=O)c1[nH]c2cccc(c2c1)c3cccc4ccccc34
SMILESCACTVS3.385OC(=O)c1[nH]c2cccc(c2c1)c3cccc4ccccc34
SMILES_CANONICALOpenEye OEToolkits1.9.2c1ccc2c(c1)cccc2c3cccc4c3cc([nH]4)C(=O)O
SMILESOpenEye OEToolkits1.9.2c1ccc2c(c1)cccc2c3cccc4c3cc([nH]4)C(=O)O

223166

数据于2024-07-31公开中

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