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F1C

Summary
Name:3,5-bis(3-acetamidophenyl)benzoic acid
Formula:C23 H20 N2 O4
Formal charge:0
Formula weight:388.416 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
OpenEye OEToolkits2.0.63,5-bis(3-acetamidophenyl)benzoic acid

Chemical Descriptors

TypeProgramVersionDescriptor
InChIInChI1.03InChI=1S/C23H20N2O4/c1-14(26)24-21-7-3-5-16(12-21)18-9-19(11-20(10-18)23(28)29)17-6-4-8-22(13-17)25-15(2)27/h3-13H,1-2H3,(H,24,26)(H,25,27)(H,28,29)
InChIKeyInChI1.03LLQUGHILDVUZIW-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385CC(=O)Nc1cccc(c1)c2cc(cc(c2)c3cccc(NC(C)=O)c3)C(O)=O
SMILESCACTVS3.385CC(=O)Nc1cccc(c1)c2cc(cc(c2)c3cccc(NC(C)=O)c3)C(O)=O
SMILES_CANONICALOpenEye OEToolkits2.0.6CC(=O)Nc1cccc(c1)c2cc(cc(c2)C(=O)O)c3cccc(c3)NC(=O)C
SMILESOpenEye OEToolkits2.0.6CC(=O)Nc1cccc(c1)c2cc(cc(c2)C(=O)O)c3cccc(c3)NC(=O)C

218853

PDB entries from 2024-04-24

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