ethyl (2S,5S,6S)-4-methyl-3-oxidanylidene-6-(phenylcarbonyloxy)-2-propan-2-yl-1,4-diazepane-5-carboxylate

Systemtic Name: ethyl (2S,5S,6S)-4-methyl-3-oxidanylidene-6-(phenylcarbonyloxy)-2-propan-2-yl-1,4-diazepane-5-carboxylate Openeye Name: ethyl (2S,5S,6S)-6-benzoyloxy-2-isopropyl-4-methyl-3-oxo-1,4-diazepane-5-carboxylate CAS Name: (2S,5S,6S)-6-benzoyloxy-4-methyl-3-oxo-2-propan-2-yl-1,4-diazepane-5-carboxylic acid ethyl ester IUPAC Name: ethyl (2S,5S,6S)-6-benzoyloxy-4-methyl-3-oxo-2-propan-2-yl-1,4-diazepane-5-carboxylate Traditional Name: (2S,5S,6S)-6-benzoyloxy-2-isopropyl-3-keto-4-methyl-1,4-diazepane-5-carboxylic acid ethyl ester Formula: C19H26N2O5 MolecularWeight: 362.42014

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1C(CNC(C(=O)N1C)C(C)C)OC(=O)C2=CC=CC=C2

Isomeric SMILES

CCOC(=O)[C@@H]1[C@H](CN[C@H](C(=O)N1C)C(C)C)OC(=O)C2=CC=CC=C2

InChI

InChI=1S/C19H26N2O5/c1-5-25-19(24)16-14(26-18(23)13-9-7-6-8-10-13)11-20-15(12(2)3)17(22)21(16)4/h6-10,12,14-16,20H,5,11H2,1-4H3/t14-,15-,16-/m0/s1