[4-(azepan-1-ylmethylideneamino)-3-oxidanylidene-1,2-oxazolidin-2-yl] 2-(2,2-dimethylpropanoyloxymethyl)-5-oxidanylidene-oxolane-2-carboxylate

Systemtic Name: [4-(azepan-1-ylmethylideneamino)-3-oxidanylidene-1,2-oxazolidin-2-yl] 2-(2,2-dimethylpropanoyloxymethyl)-5-oxidanylidene-oxolane-2-carboxylate Openeye Name: [4-(azepan-1-ylmethyleneamino)-3-oxo-isoxazolidin-2-yl] 2-(2,2-dimethylpropanoyloxymethyl)-5-oxo-tetrahydrofuran-2-carboxylate CAS Name: 2-[(2,2-dimethyl-1-oxopropoxy)methyl]-5-oxo-2-oxolanecarboxylic acid [4-(1-azepanylmethylideneamino)-3-oxo-2-isoxazolidinyl] ester IUPAC Name: [4-(azepan-1-ylmethylideneamino)-3-oxo-1,2-oxazolidin-2-yl] 2-(2,2-dimethylpropanoyloxymethyl)-5-oxooxolane-2-carboxylate Traditional Name: 5-keto-2-(pivaloyloxymethyl)tetrahydrofuran-2-carboxylic acid [4-(azepan-1-ylmethyleneamino)-3-keto-isoxazolidin-2-yl] ester Formula: C21H31N3O8 MolecularWeight: 453.48614

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)OCC1(CCC(=O)O1)C(=O)ON2C(=O)C(CO2)N=CN3CCCCCC3

Isomeric SMILES

CC(C)(C)C(=O)OCC1(CCC(=O)O1)C(=O)ON2C(=O)C(CO2)N=CN3CCCCCC3

InChI

InChI=1S/C21H31N3O8/c1-20(2,3)18(27)29-13-21(9-8-16(25)31-21)19(28)32-24-17(26)15(12-30-24)22-14-23-10-6-4-5-7-11-23/h14-15H,4-13H2,1-3H3