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RAC

Summary
Name:4-(2-DIMETHYLCARBAMOYL-PHENYLCARBAMOYLOXYMETHYL)-BENZOIC ACID
Formula:C18 H18 N2 O5
Formal charge:0
Formula weight:342.346 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs10.044-[({[2-(dimethylcarbamoyl)phenyl]carbamoyl}oxy)methyl]benzoic acid
OpenEye OEToolkits1.5.04-[[2-(dimethylcarbamoyl)phenyl]carbamoyloxymethyl]benzoic acid

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04O=C(N(C)C)c1ccccc1NC(=O)OCc2ccc(cc2)C(=O)O
SMILES_CANONICALCACTVS3.341CN(C)C(=O)c1ccccc1NC(=O)OCc2ccc(cc2)C(O)=O
SMILESCACTVS3.341CN(C)C(=O)c1ccccc1NC(=O)OCc2ccc(cc2)C(O)=O
SMILES_CANONICALOpenEye OEToolkits1.5.0CN(C)C(=O)c1ccccc1NC(=O)OCc2ccc(cc2)C(=O)O
SMILESOpenEye OEToolkits1.5.0CN(C)C(=O)c1ccccc1NC(=O)OCc2ccc(cc2)C(=O)O
InChIInChI1.03InChI=1S/C18H18N2O5/c1-20(2)16(21)14-5-3-4-6-15(14)19-18(24)25-11-12-7-9-13(10-8-12)17(22)23/h3-10H,11H2,1-2H3,(H,19,24)(H,22,23)
InChIKeyInChI1.03WBKIRHATIRDZAH-UHFFFAOYSA-N

246905

PDB entries from 2025-12-31

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