2-[(5-bromanyl-2-fluoranyl-phenyl)methylamino]-2-methyl-pentanoic acid

Systemtic Name: 2-[(5-bromanyl-2-fluoranyl-phenyl)methylamino]-2-methyl-pentanoic acid Openeye Name: 2-[(5-bromo-2-fluoro-phenyl)methylamino]-2-methyl-pentanoic acid CAS Name: 2-[(5-bromo-2-fluorophenyl)methylamino]-2-methylpentanoic acid IUPAC Name: 2-[(5-bromo-2-fluorophenyl)methylamino]-2-methylpentanoic acid Traditional Name: 2-[(5-bromo-2-fluoro-benzyl)amino]-2-methyl-valeric acid Formula: C13H17BrFNO2 MolecularWeight: 318.181983

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C)(C(=O)O)NCC1=C(C=CC(=C1)Br)F

Isomeric SMILES

CCCC(C)(C(=O)O)NCC1=C(C=CC(=C1)Br)F

InChI

InChI=1S/C13H17BrFNO2/c1-3-6-13(2,12(17)18)16-8-9-7-10(14)4-5-11(9)15/h4-5,7,16H,3,6,8H2,1-2H3,(H,17,18)