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OGM

Summary
Name:methyl {4-[5-(hydroxymethyl)-1H-imidazol-2-yl]butyl}carbamate
Formula:C10 H17 N3 O3
Formal charge:0
Formula weight:227.26 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.01methyl {4-[5-(hydroxymethyl)-1H-imidazol-2-yl]butyl}carbamate
OpenEye OEToolkits2.0.7methyl ~{N}-[4-[5-(hydroxymethyl)-1~{H}-imidazol-2-yl]butyl]carbamate

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01COC(=O)NCCCCc1nc(CO)cn1
InChIInChI1.03InChI=1S/C10H17N3O3/c1-16-10(15)11-5-3-2-4-9-12-6-8(7-14)13-9/h6,14H,2-5,7H2,1H3,(H,11,15)(H,12,13)
InChIKeyInChI1.03FLDJBEVUBLZUEF-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385COC(=O)NCCCCc1[nH]c(CO)cn1
SMILESCACTVS3.385COC(=O)NCCCCc1[nH]c(CO)cn1
SMILES_CANONICALOpenEye OEToolkits2.0.7COC(=O)NCCCCc1[nH]c(cn1)CO
SMILESOpenEye OEToolkits2.0.7COC(=O)NCCCCc1[nH]c(cn1)CO

217705

數據於2024-03-27公開中

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