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VPK

Summary
Name:ethyl pyridin-3-ylcarbamate
Formula:C8 H10 N2 O2
Formal charge:0
Formula weight:166.177 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
ACDLabs12.01ethyl pyridin-3-ylcarbamate
OpenEye OEToolkits2.0.7ethyl ~{N}-pyridin-3-ylcarbamate

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01O=C(OCC)Nc1cccnc1
InChIInChI1.06InChI=1S/C8H10N2O2/c1-2-12-8(11)10-7-4-3-5-9-6-7/h3-6H,2H2,1H3,(H,10,11)
InChIKeyInChI1.06YLRSARVOZNPQKX-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385CCOC(=O)Nc1cccnc1
SMILESCACTVS3.385CCOC(=O)Nc1cccnc1
SMILES_CANONICALOpenEye OEToolkits2.0.7CCOC(=O)Nc1cccnc1
SMILESOpenEye OEToolkits2.0.7CCOC(=O)Nc1cccnc1

222415

PDB entries from 2024-07-10

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