2-[2-oxidanylidene-3-(phenylmethoxycarbonylamino)azepan-1-yl]ethanoate

Systemtic Name: 2-[2-oxidanylidene-3-(phenylmethoxycarbonylamino)azepan-1-yl]ethanoate Openeye Name: 2-[3-(benzyloxycarbonylamino)-2-oxo-azepan-1-yl]acetate CAS Name: 2-[2-oxo-3-(phenylmethoxycarbonylamino)-1-azepanyl]acetate IUPAC Name: 2-[2-oxo-3-(phenylmethoxycarbonylamino)azepan-1-yl]acetate Traditional Name: 2-[3-(benzyloxycarbonylamino)-2-keto-azepan-1-yl]acetate Formula: C16H19N2O5- MolecularWeight: 319.33246

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C(=O)C(C1)NC(=O)OCC2=CC=CC=C2)CC(=O)[O-]

Isomeric SMILES

C1CCN(C(=O)C(C1)NC(=O)OCC2=CC=CC=C2)CC(=O)[O-]

InChI

InChI=1S/C16H20N2O5/c19-14(20)10-18-9-5-4-8-13(15(18)21)17-16(22)23-11-12-6-2-1-3-7-12/h1-3,6-7,13H,4-5,8-11H2,(H,17,22)(H,19,20)/p-1