3-[[3,4-bis(fluoranyl)phenyl]-(2-methylpropanoyl)amino]propanoate

Systemtic Name: 3-[[3,4-bis(fluoranyl)phenyl]-(2-methylpropanoyl)amino]propanoate Openeye Name: 3-[3,4-difluoro-N-(2-methylpropanoyl)anilino]propanoate CAS Name: 3-(3,4-difluoro-N-(2-methyl-1-oxopropyl)anilino)propanoate IUPAC Name: 3-[3,4-difluoro-N-(2-methylpropanoyl)anilino]propanoate Traditional Name: 3-(3,4-difluoro-N-isobutyryl-anilino)propionate Formula: C13H14F2NO3- MolecularWeight: 270.251966

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)N(CCC(=O)[O-])C1=CC(=C(C=C1)F)F

Isomeric SMILES

CC(C)C(=O)N(CCC(=O)[O-])C1=CC(=C(C=C1)F)F

InChI

InChI=1S/C13H15F2NO3/c1-8(2)13(19)16(6-5-12(17)18)9-3-4-10(14)11(15)7-9/h3-4,7-8H,5-6H2,1-2H3,(H,17,18)/p-1