[1-[methyl-(phenylmethyl)amino]-1-oxidanylidene-propan-2-yl] 5-bromanyl-2-fluoranyl-benzoate

Systemtic Name: [1-[methyl-(phenylmethyl)amino]-1-oxidanylidene-propan-2-yl] 5-bromanyl-2-fluoranyl-benzoate Openeye Name: [2-[benzyl(methyl)amino]-1-methyl-2-oxo-ethyl] 5-bromo-2-fluoro-benzoate CAS Name: 5-bromo-2-fluorobenzoic acid [1-[methyl-(phenylmethyl)amino]-1-oxopropan-2-yl] ester IUPAC Name: [1-[benzyl(methyl)amino]-1-oxopropan-2-yl] 5-bromo-2-fluorobenzoate Traditional Name: 5-bromo-2-fluoro-benzoic acid [2-[benzyl(methyl)amino]-2-keto-1-methyl-ethyl] ester Formula: C18H17BrFNO3 MolecularWeight: 394.234883

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N(C)CC1=CC=CC=C1)OC(=O)C2=C(C=CC(=C2)Br)F

Isomeric SMILES

CC(C(=O)N(C)CC1=CC=CC=C1)OC(=O)C2=C(C=CC(=C2)Br)F

InChI

InChI=1S/C18H17BrFNO3/c1-12(17(22)21(2)11-13-6-4-3-5-7-13)24-18(23)15-10-14(19)8-9-16(15)20/h3-10,12H,11H2,1-2H3