[2-oxidanylidene-2-(2,4,4-trimethylpentan-2-ylamino)ethyl] 5-bromanyl-2-fluoranyl-benzoate

Systemtic Name: [2-oxidanylidene-2-(2,4,4-trimethylpentan-2-ylamino)ethyl] 5-bromanyl-2-fluoranyl-benzoate Openeye Name: [2-oxo-2-(1,1,3,3-tetramethylbutylamino)ethyl] 5-bromo-2-fluoro-benzoate CAS Name: 5-bromo-2-fluorobenzoic acid [2-oxo-2-(2,4,4-trimethylpentan-2-ylamino)ethyl] ester IUPAC Name: [2-oxo-2-(2,4,4-trimethylpentan-2-ylamino)ethyl] 5-bromo-2-fluorobenzoate Traditional Name: 5-bromo-2-fluoro-benzoic acid [2-keto-2-(1,1,3,3-tetramethylbutylamino)ethyl] ester Formula: C17H23BrFNO3 MolecularWeight: 388.271823

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)CC(C)(C)NC(=O)COC(=O)C1=C(C=CC(=C1)Br)F

Isomeric SMILES

CC(C)(C)CC(C)(C)NC(=O)COC(=O)C1=C(C=CC(=C1)Br)F

InChI

InChI=1S/C17H23BrFNO3/c1-16(2,3)10-17(4,5)20-14(21)9-23-15(22)12-8-11(18)6-7-13(12)19/h6-8H,9-10H2,1-5H3,(H,20,21)