[2-[2-(3-methylphenoxy)ethylamino]-2-oxidanylidene-ethyl] 2-bromanyl-5-fluoranyl-benzoate

Systemtic Name: [2-[2-(3-methylphenoxy)ethylamino]-2-oxidanylidene-ethyl] 2-bromanyl-5-fluoranyl-benzoate Openeye Name: [2-[2-(3-methylphenoxy)ethylamino]-2-oxo-ethyl] 2-bromo-5-fluoro-benzoate CAS Name: 2-bromo-5-fluorobenzoic acid [2-[2-(3-methylphenoxy)ethylamino]-2-oxoethyl] ester IUPAC Name: [2-[2-(3-methylphenoxy)ethylamino]-2-oxoethyl] 2-bromo-5-fluorobenzoate Traditional Name: 2-bromo-5-fluoro-benzoic acid [2-keto-2-[2-(3-methylphenoxy)ethylamino]ethyl] ester Formula: C18H17BrFNO4 MolecularWeight: 410.234283

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)OCCNC(=O)COC(=O)C2=C(C=CC(=C2)F)Br

Isomeric SMILES

CC1=CC(=CC=C1)OCCNC(=O)COC(=O)C2=C(C=CC(=C2)F)Br

InChI

InChI=1S/C18H17BrFNO4/c1-12-3-2-4-14(9-12)24-8-7-21-17(22)11-25-18(23)15-10-13(20)5-6-16(15)19/h2-6,9-10H,7-8,11H2,1H3,(H,21,22)