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

Systemtic Name: [(3S)-2-oxidanylidene-1-(phenylcarbonyl)azepan-3-yl] ethanoate Openeye Name: [(3S)-1-benzoyl-2-oxo-azepan-3-yl] acetate CAS Name: acetic acid [(3S)-1-benzoyl-2-oxo-3-azepanyl] ester IUPAC Name: [(3S)-1-benzoyl-2-oxoazepan-3-yl] acetate Traditional Name: acetic acid [(3S)-1-benzoyl-2-keto-azepan-3-yl] ester Formula: C15H17NO4 MolecularWeight: 275.29978

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1CCCCN(C1=O)C(=O)C2=CC=CC=C2

Isomeric SMILES

CC(=O)O[C@H]1CCCCN(C1=O)C(=O)C2=CC=CC=C2

InChI

InChI=1S/C15H17NO4/c1-11(17)20-13-9-5-6-10-16(15(13)19)14(18)12-7-3-2-4-8-12/h2-4,7-8,13H,5-6,9-10H2,1H3/t13-/m0/s1