tert-butyl 2-(2-oxidanylidene-3,3a,4,5,6,7-hexahydro-1,3-benzoxazol-7a-yl)ethanoate

Systemtic Name: tert-butyl 2-(2-oxidanylidene-3,3a,4,5,6,7-hexahydro-1,3-benzoxazol-7a-yl)ethanoate Openeye Name: tert-butyl 2-(2-oxo-3,3a,4,5,6,7-hexahydro-1,3-benzoxazol-7a-yl)acetate CAS Name: 2-(2-oxo-3,3a,4,5,6,7-hexahydro-1,3-benzoxazol-7a-yl)acetic acid tert-butyl ester IUPAC Name: tert-butyl 2-(2-oxo-3,3a,4,5,6,7-hexahydro-1,3-benzoxazol-7a-yl)acetate Traditional Name: 2-(2-keto-3,3a,4,5,6,7-hexahydro-1,3-benzoxazol-7a-yl)acetic acid tert-butyl ester Formula: C13H21NO4 MolecularWeight: 255.31014

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)CC12CCCCC1NC(=O)O2

Isomeric SMILES

CC(C)(C)OC(=O)CC12CCCCC1NC(=O)O2

InChI

InChI=1S/C13H21NO4/c1-12(2,3)17-10(15)8-13-7-5-4-6-9(13)14-11(16)18-13/h9H,4-8H2,1-3H3,(H,14,16)