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

Systemtic Name: [2-oxidanylidene-2-[(phenylmethyl)amino]ethyl] 2-bromanyl-3,4,5-trimethoxy-benzoate Openeye Name: [2-(benzylamino)-2-oxo-ethyl] 2-bromo-3,4,5-trimethoxy-benzoate CAS Name: 2-bromo-3,4,5-trimethoxybenzoic acid [2-oxo-2-[(phenylmethyl)amino]ethyl] ester IUPAC Name: [2-(benzylamino)-2-oxoethyl] 2-bromo-3,4,5-trimethoxybenzoate Traditional Name: 2-bromo-3,4,5-trimethoxy-benzoic acid [2-(benzylamino)-2-keto-ethyl] ester Formula: C19H20BrNO6 MolecularWeight: 438.2692

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=C(C(=C1)C(=O)OCC(=O)NCC2=CC=CC=C2)Br)OC)OC

Isomeric SMILES

COC1=C(C(=C(C(=C1)C(=O)OCC(=O)NCC2=CC=CC=C2)Br)OC)OC

InChI

InChI=1S/C19H20BrNO6/c1-24-14-9-13(16(20)18(26-3)17(14)25-2)19(23)27-11-15(22)21-10-12-7-5-4-6-8-12/h4-9H,10-11H2,1-3H3,(H,21,22)