BOQ

ethyl 2-(aminomethyl)-5-~{tert}-butyl-furan-3-carboxylate

Created:2017-10-12
Last modified:  2019-02-06

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Chemical Details

Formal Charge0
Atom Count35
Chiral Atom Count0
Bond Count35
Aromatic Bond Count5
2D diagram of BOQ

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Chemical Component Summary

Nameethyl 2-(aminomethyl)-5-~{tert}-butyl-furan-3-carboxylate
Systematic Name (OpenEye OEToolkits)ethyl 2-(aminomethyl)-5-~{tert}-butyl-furan-3-carboxylate
FormulaC12 H19 N O3
Molecular Weight225.284
TypeNON-POLYMER

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESCACTVS3.385CCOC(=O)c1cc(oc1CN)C(C)(C)C
SMILESOpenEye OEToolkits2.0.6CCOC(=O)c1cc(oc1CN)C(C)(C)C
Canonical SMILESCACTVS3.385 CCOC(=O)c1cc(oc1CN)C(C)(C)C
Canonical SMILESOpenEye OEToolkits2.0.6 CCOC(=O)c1cc(oc1CN)C(C)(C)C
InChIInChI1.03 InChI=1S/C12H19NO3/c1-5-15-11(14)8-6-10(12(2,3)4)16-9(8)7-13/h6H,5,7,13H2,1-4H3
InChIKeyInChI1.03 JXCNRNVAFQVPDO-UHFFFAOYSA-N

Related Resource References

Resource NameReference
PubChem 607286
ChEMBL CHEMBL1584149