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

Systemtic Name: 3-[[3,4-bis(fluoranyl)phenyl]-(2-ethylbutanoyl)amino]propanoate Openeye Name: 3-[N-(2-ethylbutanoyl)-3,4-difluoro-anilino]propanoate CAS Name: 3-(N-(2-ethyl-1-oxobutyl)-3,4-difluoroanilino)propanoate IUPAC Name: 3-[N-(2-ethylbutanoyl)-3,4-difluoroanilino]propanoate Traditional Name: 3-[N-(2-ethylbutanoyl)-3,4-difluoro-anilino]propionate Formula: C15H18F2NO3- MolecularWeight: 298.305126

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H19F2NO3/c1-3-10(4-2)15(21)18(8-7-14(19)20)11-5-6-12(16)13(17)9-11/h5-6,9-10H,3-4,7-8H2,1-2H3,(H,19,20)/p-1