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VGN

Summary
Name:2-ACETAMIDO-5-(4-PHENYLPHENYL)BENZOIC ACID
Formula:C21 H17 N O3
Formal charge:0
Formula weight:331.365 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs10.044-(acetylamino)-1,1':4',1''-terphenyl-3-carboxylic acid
OpenEye OEToolkits1.6.12-acetamido-5-(4-phenylphenyl)benzoic acid

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04O=C(O)c3cc(c2ccc(c1ccccc1)cc2)ccc3NC(=O)C
SMILES_CANONICALCACTVS3.352CC(=O)Nc1ccc(cc1C(O)=O)c2ccc(cc2)c3ccccc3
SMILESCACTVS3.352CC(=O)Nc1ccc(cc1C(O)=O)c2ccc(cc2)c3ccccc3
SMILES_CANONICALOpenEye OEToolkits1.6.1CC(=O)Nc1ccc(cc1C(=O)O)c2ccc(cc2)c3ccccc3
SMILESOpenEye OEToolkits1.6.1CC(=O)Nc1ccc(cc1C(=O)O)c2ccc(cc2)c3ccccc3
InChIInChI1.03InChI=1S/C21H17NO3/c1-14(23)22-20-12-11-18(13-19(20)21(24)25)17-9-7-16(8-10-17)15-5-3-2-4-6-15/h2-13H,1H3,(H,22,23)(H,24,25)
InChIKeyInChI1.03XXPKIBVYLUEVCV-UHFFFAOYSA-N

223790

数据于2024-08-14公开中

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