[2-oxidanylidene-2-[(phenylmethyl)amino]ethyl] 4-bromanyl-3,5-dimethoxy-benzoate

Systemtic Name: [2-oxidanylidene-2-[(phenylmethyl)amino]ethyl] 4-bromanyl-3,5-dimethoxy-benzoate Openeye Name: [2-(benzylamino)-2-oxo-ethyl] 4-bromo-3,5-dimethoxy-benzoate CAS Name: 4-bromo-3,5-dimethoxybenzoic acid [2-oxo-2-[(phenylmethyl)amino]ethyl] ester IUPAC Name: [2-(benzylamino)-2-oxoethyl] 4-bromo-3,5-dimethoxybenzoate Traditional Name: 4-bromo-3,5-dimethoxy-benzoic acid [2-(benzylamino)-2-keto-ethyl] ester Formula: C18H18BrNO5 MolecularWeight: 408.24322

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1Br)OC)C(=O)OCC(=O)NCC2=CC=CC=C2

Isomeric SMILES

COC1=CC(=CC(=C1Br)OC)C(=O)OCC(=O)NCC2=CC=CC=C2

InChI

InChI=1S/C18H18BrNO5/c1-23-14-8-13(9-15(24-2)17(14)19)18(22)25-11-16(21)20-10-12-6-4-3-5-7-12/h3-9H,10-11H2,1-2H3,(H,20,21)