tert-butyl 3-butyl-4-oxidanylidene-2-(phenylmethoxycarbonylamino)-1,2-oxazetidin-2-ium-2-carboxylate

Systemtic Name: tert-butyl 3-butyl-4-oxidanylidene-2-(phenylmethoxycarbonylamino)-1,2-oxazetidin-2-ium-2-carboxylate Openeye Name: tert-butyl 2-(benzyloxycarbonylamino)-3-butyl-4-oxo-oxazetidin-2-ium-2-carboxylate CAS Name: 3-butyl-4-oxo-2-(phenylmethoxycarbonylamino)-2-oxazetidin-2-iumcarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 3-butyl-4-oxo-2-(phenylmethoxycarbonylamino)oxazetidin-2-ium-2-carboxylate Traditional Name: 2-(benzyloxycarbonylamino)-3-butyl-4-keto-oxazetidin-2-ium-2-carboxylic acid tert-butyl ester Formula: C19H27N2O6+ MolecularWeight: 379.42748

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1C(=O)O[N+]1(C(=O)OC(C)(C)C)NC(=O)OCC2=CC=CC=C2

Isomeric SMILES

CCCCC1C(=O)O[N+]1(C(=O)OC(C)(C)C)NC(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C19H26N2O6/c1-5-6-12-15-16(22)27-21(15,18(24)26-19(2,3)4)20-17(23)25-13-14-10-8-7-9-11-14/h7-11,15H,5-6,12-13H2,1-4H3/p+1