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

Systemtic Name: (phenylmethyl) (3S,4R)-3-(methoxyamino)-4-oxidanyl-azepane-1-carboxylate Openeye Name: benzyl (3S,4R)-4-hydroxy-3-(methoxyamino)azepane-1-carboxylate CAS Name: (3S,4R)-4-hydroxy-3-(methoxyamino)-1-azepanecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl (3S,4R)-4-hydroxy-3-(methoxyamino)azepane-1-carboxylate Traditional Name: (3S,4R)-4-hydroxy-3-(methoxyamino)azepane-1-carboxylic acid benzyl ester Formula: C15H22N2O4 MolecularWeight: 294.34618

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Descriptors Computed from Structure

Canonical SMILES:

CONC1CN(CCCC1O)C(=O)OCC2=CC=CC=C2

Isomeric SMILES

CON[C@H]1CN(CCC[C@H]1O)C(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C15H22N2O4/c1-20-16-13-10-17(9-5-8-14(13)18)15(19)21-11-12-6-3-2-4-7-12/h2-4,6-7,13-14,16,18H,5,8-11H2,1H3/t13-,14+/m0/s1