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2DL

Summary
Name:2-METHYL-4-DIETHYLAMIDE-PHENOL
Formula:C12 H17 N O3
Formal charge:0
Formula weight:223.268 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs10.04N,N-diethyl-4-hydroxy-3-methoxybenzamide
OpenEye OEToolkits1.6.1N,N-diethyl-4-hydroxy-3-methoxy-benzamide

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04O=C(c1cc(OC)c(O)cc1)N(CC)CC
SMILES_CANONICALCACTVS3.352CCN(CC)C(=O)c1ccc(O)c(OC)c1
SMILESCACTVS3.352CCN(CC)C(=O)c1ccc(O)c(OC)c1
SMILES_CANONICALOpenEye OEToolkits1.6.1CCN(CC)C(=O)c1ccc(c(c1)OC)O
SMILESOpenEye OEToolkits1.6.1CCN(CC)C(=O)c1ccc(c(c1)OC)O
InChIInChI1.03InChI=1S/C12H17NO3/c1-4-13(5-2)12(15)9-6-7-10(14)11(8-9)16-3/h6-8,14H,4-5H2,1-3H3
InChIKeyInChI1.03BQJODPIMMWWMFC-UHFFFAOYSA-N

217705

PDB entries from 2024-03-27

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