2-[(2-bromanyl-4-fluoranyl-phenyl)methylamino]-2-methyl-pentanoic acid

Systemtic Name: 2-[(2-bromanyl-4-fluoranyl-phenyl)methylamino]-2-methyl-pentanoic acid Openeye Name: 2-[(2-bromo-4-fluoro-phenyl)methylamino]-2-methyl-pentanoic acid CAS Name: 2-[(2-bromo-4-fluorophenyl)methylamino]-2-methylpentanoic acid IUPAC Name: 2-[(2-bromo-4-fluorophenyl)methylamino]-2-methylpentanoic acid Traditional Name: 2-[(2-bromo-4-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=C(C=C1)F)Br

Isomeric SMILES

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

InChI

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