[2-(azepan-1-yl)-2-oxidanylidene-ethyl] 4-bromanyl-3,5-dimethoxy-benzoate

Systemtic Name: [2-(azepan-1-yl)-2-oxidanylidene-ethyl] 4-bromanyl-3,5-dimethoxy-benzoate Openeye Name: [2-(azepan-1-yl)-2-oxo-ethyl] 4-bromo-3,5-dimethoxy-benzoate CAS Name: 4-bromo-3,5-dimethoxybenzoic acid [2-(1-azepanyl)-2-oxoethyl] ester IUPAC Name: [2-(azepan-1-yl)-2-oxoethyl] 4-bromo-3,5-dimethoxybenzoate Traditional Name: 4-bromo-3,5-dimethoxy-benzoic acid [2-(azepan-1-yl)-2-keto-ethyl] ester Formula: C17H22BrNO5 MolecularWeight: 400.26428

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1Br)OC)C(=O)OCC(=O)N2CCCCCC2

Isomeric SMILES

COC1=CC(=CC(=C1Br)OC)C(=O)OCC(=O)N2CCCCCC2

InChI

InChI=1S/C17H22BrNO5/c1-22-13-9-12(10-14(23-2)16(13)18)17(21)24-11-15(20)19-7-5-3-4-6-8-19/h9-10H,3-8,11H2,1-2H3