tert-butyl (2S,5S)-3-oxidanylidene-2-(phenylmethyl)-1,4-diazepane-5-carboxylate

Systemtic Name: tert-butyl (2S,5S)-3-oxidanylidene-2-(phenylmethyl)-1,4-diazepane-5-carboxylate Openeye Name: tert-butyl (2S,5S)-2-benzyl-3-oxo-1,4-diazepane-5-carboxylate CAS Name: (2S,5S)-3-oxo-2-(phenylmethyl)-1,4-diazepane-5-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl (2S,5S)-2-benzyl-3-oxo-1,4-diazepane-5-carboxylate Traditional Name: (2S,5S)-2-benzyl-3-keto-1,4-diazepane-5-carboxylic acid tert-butyl ester Formula: C17H24N2O3 MolecularWeight: 304.38406

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C1CCNC(C(=O)N1)CC2=CC=CC=C2

Isomeric SMILES

CC(C)(C)OC(=O)[C@@H]1CCN[C@H](C(=O)N1)CC2=CC=CC=C2

InChI

InChI=1S/C17H24N2O3/c1-17(2,3)22-16(21)13-9-10-18-14(15(20)19-13)11-12-7-5-4-6-8-12/h4-8,13-14,18H,9-11H2,1-3H3,(H,19,20)/t13-,14-/m0/s1