2TN

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Summary

Name:2-(4-(2-HYDROXY-3-(ISOPROPYLAMINO)PROPOXY)PHENYL)ETHANAMIDE
Synonyms:ATENOLOL
Formula:C14 H22 N2 O3
Formal charge:0
Molecular weight:266.336 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs10.042-[4-({(2R)-2-hydroxy-3-[(1-methylethyl)amino]propyl}oxy)phenyl]acetamide
OpenEye OEToolkits1.5.02-[4-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]ethanamide

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04O=C(N)Cc1ccc(OCC(O)CNC(C)C)cc1
SMILES_CANONICALCACTVS3.341CC(C)NC[C@@H](O)COc1ccc(CC(N)=O)cc1
SMILESCACTVS3.341CC(C)NC[CH](O)COc1ccc(CC(N)=O)cc1
SMILES_CANONICALOpenEye OEToolkits1.5.0CC(C)NCC(COc1ccc(cc1)CC(=O)N)O
SMILESOpenEye OEToolkits1.5.0CC(C)NCC(COc1ccc(cc1)CC(=O)N)O
InChIInChI1.03InChI=1S/C14H22N2O3/c1-10(2)16-8-12(17)9-19-13-5-3-11(4-6-13)7-14(15)18/h3-6,10,12,16-17H,7-9H2,1-2H3,(H2,15,18)/t12-/m1/s1
InChIKeyInChI1.03METKIMKYRPQLGS-GFCCVEGCSA-N
167518
PDB entries from 2020-08-12