3-bromanyl-3,3-bis(fluoranyl)-2-methyl-2-(phenylmethoxycarbonylamino)propanoic acid

Systemtic Name: 3-bromanyl-3,3-bis(fluoranyl)-2-methyl-2-(phenylmethoxycarbonylamino)propanoic acid Openeye Name: 2-(benzyloxycarbonylamino)-3-bromo-3,3-difluoro-2-methyl-propanoic acid CAS Name: 3-bromo-3,3-difluoro-2-methyl-2-(phenylmethoxycarbonylamino)propanoic acid IUPAC Name: 3-bromo-3,3-difluoro-2-methyl-2-(phenylmethoxycarbonylamino)propanoic acid Traditional Name: 2-(benzyloxycarbonylamino)-3-bromo-3,3-difluoro-2-methyl-propionic acid Formula: C12H12BrF2NO4 MolecularWeight: 352.128786

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)O)(C(F)(F)Br)NC(=O)OCC1=CC=CC=C1

Isomeric SMILES

CC(C(=O)O)(C(F)(F)Br)NC(=O)OCC1=CC=CC=C1

InChI

InChI=1S/C12H12BrF2NO4/c1-11(9(17)18,12(13,14)15)16-10(19)20-7-8-5-3-2-4-6-8/h2-6H,7H2,1H3,(H,16,19)(H,17,18)