(phenylmethyl) (3R,4R)-3-azido-4-oxidanyl-azepane-1-carboxylate

Systemtic Name: (phenylmethyl) (3R,4R)-3-azido-4-oxidanyl-azepane-1-carboxylate Openeye Name: benzyl (3R,4R)-3-azido-4-hydroxy-azepane-1-carboxylate CAS Name: (3R,4R)-3-azido-4-hydroxy-1-azepanecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl (3R,4R)-3-azido-4-hydroxyazepane-1-carboxylate Traditional Name: (3R,4R)-3-azido-4-hydroxy-azepane-1-carboxylic acid benzyl ester Formula: C14H18N4O3 MolecularWeight: 290.31772

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C(CN(C1)C(=O)OCC2=CC=CC=C2)N=[N+]=[N-])O

Isomeric SMILES

C1C[C@H]([C@@H](CN(C1)C(=O)OCC2=CC=CC=C2)N=[N+]=[N-])O

InChI

InChI=1S/C14H18N4O3/c15-17-16-12-9-18(8-4-7-13(12)19)14(20)21-10-11-5-2-1-3-6-11/h1-3,5-6,12-13,19H,4,7-10H2/t12-,13-/m1/s1