methyl 5-(2-azanylbutanoylamino)-2,4-bis(fluoranyl)benzoate

Systemtic Name: methyl 5-(2-azanylbutanoylamino)-2,4-bis(fluoranyl)benzoate Openeye Name: methyl 5-(2-aminobutanoylamino)-2,4-difluoro-benzoate CAS Name: 5-[(2-amino-1-oxobutyl)amino]-2,4-difluorobenzoic acid methyl ester IUPAC Name: methyl 5-(2-aminobutanoylamino)-2,4-difluorobenzoate Traditional Name: 5-(2-aminobutanoylamino)-2,4-difluoro-benzoic acid methyl ester Formula: C12H14F2N2O3 MolecularWeight: 272.247966

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=C(C=C(C(=C1)C(=O)OC)F)F)N

Isomeric SMILES

CCC(C(=O)NC1=C(C=C(C(=C1)C(=O)OC)F)F)N

InChI

InChI=1S/C12H14F2N2O3/c1-3-9(15)11(17)16-10-4-6(12(18)19-2)7(13)5-8(10)14/h4-5,9H,3,15H2,1-2H3,(H,16,17)