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2CT

Summary
Name:(2-{2-[(2,5-dimethoxyphenyl)amino]-2-oxoethoxy}phenyl)phosphonic acid
Formula:C16 H18 N O7 P
Formal charge:0
Formula weight:367.29 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.01(2-{2-[(2,5-dimethoxyphenyl)amino]-2-oxoethoxy}phenyl)phosphonic acid
OpenEye OEToolkits1.7.2[2-[2-[(2,5-dimethoxyphenyl)amino]-2-oxidanylidene-ethoxy]phenyl]phosphonic acid

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01O=P(O)(O)c2ccccc2OCC(=O)Nc1cc(OC)ccc1OC
InChIInChI1.03InChI=1S/C16H18NO7P/c1-22-11-7-8-13(23-2)12(9-11)17-16(18)10-24-14-5-3-4-6-15(14)25(19,20)21/h3-9H,10H2,1-2H3,(H,17,18)(H2,19,20,21)
InChIKeyInChI1.03ZRSQIYJHXGHOBQ-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.370COc1ccc(OC)c(NC(=O)COc2ccccc2[P](O)(O)=O)c1
SMILESCACTVS3.370COc1ccc(OC)c(NC(=O)COc2ccccc2[P](O)(O)=O)c1
SMILES_CANONICALOpenEye OEToolkits1.7.2COc1ccc(c(c1)NC(=O)COc2ccccc2P(=O)(O)O)OC
SMILESOpenEye OEToolkits1.7.2COc1ccc(c(c1)NC(=O)COc2ccccc2P(=O)(O)O)OC

224004

PDB entries from 2024-08-21

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