tert-butyl 6-(3-oxa-2-azabicyclo[2.2.2]oct-5-en-2-ylcarbonylamino)hexanoate

Systemtic Name: tert-butyl 6-(3-oxa-2-azabicyclo[2.2.2]oct-5-en-2-ylcarbonylamino)hexanoate Openeye Name: tert-butyl 6-(3-oxa-2-azabicyclo[2.2.2]oct-5-ene-2-carbonylamino)hexanoate CAS Name: 6-[[3-oxa-2-azabicyclo[2.2.2]oct-5-en-2-yl(oxo)methyl]amino]hexanoic acid tert-butyl ester IUPAC Name: tert-butyl 6-(3-oxa-2-azabicyclo[2.2.2]oct-5-ene-2-carbonylamino)hexanoate Traditional Name: 6-(3-oxa-2-azabicyclo[2.2.2]oct-5-ene-2-carbonylamino)hexanoic acid tert-butyl ester Formula: C17H28N2O4 MolecularWeight: 324.41522

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)CCCCCNC(=O)N1C2CCC(O1)C=C2

Isomeric SMILES

CC(C)(C)OC(=O)CCCCCNC(=O)N1C2CCC(O1)C=C2

InChI

InChI=1S/C17H28N2O4/c1-17(2,3)22-15(20)7-5-4-6-12-18-16(21)19-13-8-10-14(23-19)11-9-13/h8,10,13-14H,4-7,9,11-12H2,1-3H3,(H,18,21)