4-(2-bromanyl-5-fluoranyl-phenyl)-4-methyl-2-(phenylcarbonyl)pentanoic acid

Systemtic Name: 4-(2-bromanyl-5-fluoranyl-phenyl)-4-methyl-2-(phenylcarbonyl)pentanoic acid Openeye Name: 2-benzoyl-4-(2-bromo-5-fluoro-phenyl)-4-methyl-pentanoic acid CAS Name: 2-benzoyl-4-(2-bromo-5-fluorophenyl)-4-methylpentanoic acid IUPAC Name: 2-benzoyl-4-(2-bromo-5-fluorophenyl)-4-methylpentanoic acid Traditional Name: 2-benzoyl-4-(2-bromo-5-fluoro-phenyl)-4-methyl-valeric acid Formula: C19H18BrFO3 MolecularWeight: 393.246823

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CC(C(=O)C1=CC=CC=C1)C(=O)O)C2=C(C=CC(=C2)F)Br

Isomeric SMILES

CC(C)(CC(C(=O)C1=CC=CC=C1)C(=O)O)C2=C(C=CC(=C2)F)Br

InChI

InChI=1S/C19H18BrFO3/c1-19(2,15-10-13(21)8-9-16(15)20)11-14(18(23)24)17(22)12-6-4-3-5-7-12/h3-10,14H,11H2,1-2H3,(H,23,24)