2-[(4-bromanyl-2-fluoranyl-phenyl)methylcarbamoylamino]-2-methyl-propanoic acid

Systemtic Name: 2-[(4-bromanyl-2-fluoranyl-phenyl)methylcarbamoylamino]-2-methyl-propanoic acid Openeye Name: 2-[(4-bromo-2-fluoro-phenyl)methylcarbamoylamino]-2-methyl-propanoic acid CAS Name: 2-[[[(4-bromo-2-fluorophenyl)methylamino]-oxomethyl]amino]-2-methylpropanoic acid IUPAC Name: 2-[(4-bromo-2-fluorophenyl)methylcarbamoylamino]-2-methylpropanoic acid Traditional Name: 2-[(4-bromo-2-fluoro-benzyl)carbamoylamino]-2-methyl-propionic acid Formula: C12H14BrFN2O3 MolecularWeight: 333.153563

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H14BrFN2O3/c1-12(2,10(17)18)16-11(19)15-6-7-3-4-8(13)5-9(7)14/h3-5H,6H2,1-2H3,(H,17,18)(H2,15,16,19)