hexyl 4-[2,2,2-tris(fluoranyl)ethanoylamino]benzoate

Systemtic Name: hexyl 4-[2,2,2-tris(fluoranyl)ethanoylamino]benzoate Openeye Name: hexyl 4-[(2,2,2-trifluoroacetyl)amino]benzoate CAS Name: 4-[(2,2,2-trifluoro-1-oxoethyl)amino]benzoic acid hexyl ester IUPAC Name: hexyl 4-[(2,2,2-trifluoroacetyl)amino]benzoate Traditional Name: 4-[(2,2,2-trifluoroacetyl)amino]benzoic acid hexyl ester Formula: C15H18F3NO3 MolecularWeight: 317.30353

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC(=O)C1=CC=C(C=C1)NC(=O)C(F)(F)F

Isomeric SMILES

CCCCCCOC(=O)C1=CC=C(C=C1)NC(=O)C(F)(F)F

InChI

InChI=1S/C15H18F3NO3/c1-2-3-4-5-10-22-13(20)11-6-8-12(9-7-11)19-14(21)15(16,17)18/h6-9H,2-5,10H2,1H3,(H,19,21)