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

Systemtic Name: ethyl (2S,5R,6S)-1,4-dimethyl-3-oxidanylidene-6-(phenylcarbonyloxy)-2-propan-2-yl-1,4-diazepane-5-carboxylate Openeye Name: ethyl (2S,5R,6S)-6-benzoyloxy-2-isopropyl-1,4-dimethyl-3-oxo-1,4-diazepane-5-carboxylate CAS Name: (2S,5R,6S)-6-benzoyloxy-1,4-dimethyl-3-oxo-2-propan-2-yl-1,4-diazepane-5-carboxylic acid ethyl ester IUPAC Name: ethyl (2S,5R,6S)-6-benzoyloxy-1,4-dimethyl-3-oxo-2-propan-2-yl-1,4-diazepane-5-carboxylate Traditional Name: (2S,5R,6S)-6-benzoyloxy-2-isopropyl-3-keto-1,4-dimethyl-1,4-diazepane-5-carboxylic acid ethyl ester Formula: C20H28N2O5 MolecularWeight: 376.44672

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C20H28N2O5/c1-6-26-20(25)17-15(27-19(24)14-10-8-7-9-11-14)12-21(4)16(13(2)3)18(23)22(17)5/h7-11,13,15-17H,6,12H2,1-5H3/t15-,16-,17+/m0/s1