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

Systemtic Name: [2-oxidanylidene-2-[(2-propan-2-ylphenyl)amino]ethyl] 2-bromanyl-3,4,5-trimethoxy-benzoate Openeye Name: [2-(2-isopropylanilino)-2-oxo-ethyl] 2-bromo-3,4,5-trimethoxy-benzoate CAS Name: 2-bromo-3,4,5-trimethoxybenzoic acid [2-oxo-2-(2-propan-2-ylanilino)ethyl] ester IUPAC Name: [2-oxo-2-(2-propan-2-ylanilino)ethyl] 2-bromo-3,4,5-trimethoxybenzoate Traditional Name: 2-bromo-3,4,5-trimethoxy-benzoic acid [2-(2-isopropylanilino)-2-keto-ethyl] ester Formula: C21H24BrNO6 MolecularWeight: 466.32236

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=CC=C1NC(=O)COC(=O)C2=CC(=C(C(=C2Br)OC)OC)OC

Isomeric SMILES

CC(C)C1=CC=CC=C1NC(=O)COC(=O)C2=CC(=C(C(=C2Br)OC)OC)OC

InChI

InChI=1S/C21H24BrNO6/c1-12(2)13-8-6-7-9-15(13)23-17(24)11-29-21(25)14-10-16(26-3)19(27-4)20(28-5)18(14)22/h6-10,12H,11H2,1-5H3,(H,23,24)