tert-butyl (2S)-6,6-dimethyl-2-(2-methylpropyl)-3-oxidanylidene-1,4-oxazepane-4-carboxylate

Systemtic Name: tert-butyl (2S)-6,6-dimethyl-2-(2-methylpropyl)-3-oxidanylidene-1,4-oxazepane-4-carboxylate Openeye Name: tert-butyl (2S)-2-isobutyl-6,6-dimethyl-3-oxo-1,4-oxazepane-4-carboxylate CAS Name: (2S)-6,6-dimethyl-2-(2-methylpropyl)-3-oxo-1,4-oxazepane-4-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl (2S)-6,6-dimethyl-2-(2-methylpropyl)-3-oxo-1,4-oxazepane-4-carboxylate Traditional Name: (2S)-2-isobutyl-3-keto-6,6-dimethyl-1,4-oxazepane-4-carboxylic acid tert-butyl ester Formula: C16H29NO4 MolecularWeight: 299.40576

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1C(=O)N(CC(CO1)(C)C)C(=O)OC(C)(C)C

Isomeric SMILES

CC(C)C[C@H]1C(=O)N(CC(CO1)(C)C)C(=O)OC(C)(C)C

InChI

InChI=1S/C16H29NO4/c1-11(2)8-12-13(18)17(9-16(6,7)10-20-12)14(19)21-15(3,4)5/h11-12H,8-10H2,1-7H3/t12-/m0/s1