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

Systemtic Name: methyl 5-(2-azanylpentanoylamino)-2,4-bis(fluoranyl)benzoate Openeye Name: methyl 5-(2-aminopentanoylamino)-2,4-difluoro-benzoate CAS Name: 5-[(2-amino-1-oxopentyl)amino]-2,4-difluorobenzoic acid methyl ester IUPAC Name: methyl 5-(2-aminopentanoylamino)-2,4-difluorobenzoate Traditional Name: 5-(2-aminopentanoylamino)-2,4-difluoro-benzoic acid methyl ester Formula: C13H16F2N2O3 MolecularWeight: 286.274546

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H16F2N2O3/c1-3-4-10(16)12(18)17-11-5-7(13(19)20-2)8(14)6-9(11)15/h5-6,10H,3-4,16H2,1-2H3,(H,17,18)