[2-(azepan-1-yl)-2-oxidanylidene-ethyl] 3-acetamidobenzoate

Systemtic Name: [2-(azepan-1-yl)-2-oxidanylidene-ethyl] 3-acetamidobenzoate Openeye Name: [2-(azepan-1-yl)-2-oxo-ethyl] 3-acetamidobenzoate CAS Name: 3-acetamidobenzoic acid [2-(1-azepanyl)-2-oxoethyl] ester IUPAC Name: [2-(azepan-1-yl)-2-oxoethyl] 3-acetamidobenzoate Traditional Name: 3-acetamidobenzoic acid [2-(azepan-1-yl)-2-keto-ethyl] ester Formula: C17H22N2O4 MolecularWeight: 318.36758

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=CC(=C1)C(=O)OCC(=O)N2CCCCCC2

Isomeric SMILES

CC(=O)NC1=CC=CC(=C1)C(=O)OCC(=O)N2CCCCCC2

InChI

InChI=1S/C17H22N2O4/c1-13(20)18-15-8-6-7-14(11-15)17(22)23-12-16(21)19-9-4-2-3-5-10-19/h6-8,11H,2-5,9-10,12H2,1H3,(H,18,20)