[2-[1-(3,4-dimethylphenyl)ethylamino]-2-oxidanylidene-ethyl] 4-bromanyl-2-fluoranyl-benzoate

Systemtic Name: [2-[1-(3,4-dimethylphenyl)ethylamino]-2-oxidanylidene-ethyl] 4-bromanyl-2-fluoranyl-benzoate Openeye Name: [2-[1-(3,4-dimethylphenyl)ethylamino]-2-oxo-ethyl] 4-bromo-2-fluoro-benzoate CAS Name: 4-bromo-2-fluorobenzoic acid [2-[1-(3,4-dimethylphenyl)ethylamino]-2-oxoethyl] ester IUPAC Name: [2-[1-(3,4-dimethylphenyl)ethylamino]-2-oxoethyl] 4-bromo-2-fluorobenzoate Traditional Name: 4-bromo-2-fluoro-benzoic acid [2-[1-(3,4-dimethylphenyl)ethylamino]-2-keto-ethyl] ester Formula: C19H19BrFNO3 MolecularWeight: 408.261463

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(C)NC(=O)COC(=O)C2=C(C=C(C=C2)Br)F)C

Isomeric SMILES

CC1=C(C=C(C=C1)C(C)NC(=O)COC(=O)C2=C(C=C(C=C2)Br)F)C

InChI

InChI=1S/C19H19BrFNO3/c1-11-4-5-14(8-12(11)2)13(3)22-18(23)10-25-19(24)16-7-6-15(20)9-17(16)21/h4-9,13H,10H2,1-3H3,(H,22,23)