2-[[3,5-bis(fluoranyl)phenyl]-methanoyl-amino]-3-methyl-butanoic acid

Systemtic Name: 2-[[3,5-bis(fluoranyl)phenyl]-methanoyl-amino]-3-methyl-butanoic acid Openeye Name: 2-(3,5-difluoro-N-formyl-anilino)-3-methyl-butanoic acid CAS Name: 2-(3,5-difluoro-N-formylanilino)-3-methylbutanoic acid IUPAC Name: 2-(3,5-difluoro-N-formylanilino)-3-methylbutanoic acid Traditional Name: 2-(3,5-difluoro-N-formyl-anilino)-3-methyl-butyric acid Formula: C12H13F2NO3 MolecularWeight: 257.233326

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)O)N(C=O)C1=CC(=CC(=C1)F)F

Isomeric SMILES

CC(C)C(C(=O)O)N(C=O)C1=CC(=CC(=C1)F)F

InChI

InChI=1S/C12H13F2NO3/c1-7(2)11(12(17)18)15(6-16)10-4-8(13)3-9(14)5-10/h3-7,11H,1-2H3,(H,17,18)