(phenylmethyl) (2R,5S,6S)-6-azido-2-methyl-5-oxidanyl-azepane-1-carboxylate

Systemtic Name: (phenylmethyl) (2R,5S,6S)-6-azido-2-methyl-5-oxidanyl-azepane-1-carboxylate Openeye Name: benzyl (2R,5S,6S)-6-azido-5-hydroxy-2-methyl-azepane-1-carboxylate CAS Name: (2R,5S,6S)-6-azido-5-hydroxy-2-methyl-1-azepanecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl (2R,5S,6S)-6-azido-5-hydroxy-2-methylazepane-1-carboxylate Traditional Name: (2R,5S,6S)-6-azido-5-hydroxy-2-methyl-azepane-1-carboxylic acid benzyl ester Formula: C15H20N4O3 MolecularWeight: 304.3443

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(C(CN1C(=O)OCC2=CC=CC=C2)N=[N+]=[N-])O

Isomeric SMILES

C[C@@H]1CC[C@@H]([C@H](CN1C(=O)OCC2=CC=CC=C2)N=[N+]=[N-])O

InChI

InChI=1S/C15H20N4O3/c1-11-7-8-14(20)13(17-18-16)9-19(11)15(21)22-10-12-5-3-2-4-6-12/h2-6,11,13-14,20H,7-10H2,1H3/t11-,13+,14+/m1/s1