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Summary

Name:{2-[2-(cyclopentylamino)-2-oxoethoxy]phenyl}phosphonic acid
Formula:C13 H18 N O5 P
Formal charge:0
Molecular weight:299.259 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.01{2-[2-(cyclopentylamino)-2-oxoethoxy]phenyl}phosphonic acid
OpenEye OEToolkits1.7.6[2-[2-(cyclopentylamino)-2-oxidanylidene-ethoxy]phenyl]phosphonic acid

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01O=C(NC1CCCC1)COc2ccccc2P(=O)(O)O
InChIInChI1.03InChI=1S/C13H18NO5P/c15-13(14-10-5-1-2-6-10)9-19-11-7-3-4-8-12(11)20(16,17)18/h3-4,7-8,10H,1-2,5-6,9H2,(H,14,15)(H2,16,17,18)
InChIKeyInChI1.03OUYPHOGRFCIRMR-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.370O[P](O)(=O)c1ccccc1OCC(=O)NC2CCCC2
SMILESCACTVS3.370O[P](O)(=O)c1ccccc1OCC(=O)NC2CCCC2
SMILES_CANONICALOpenEye OEToolkits1.7.6c1ccc(c(c1)OCC(=O)NC2CCCC2)P(=O)(O)O
SMILESOpenEye OEToolkits1.7.6c1ccc(c(c1)OCC(=O)NC2CCCC2)P(=O)(O)O