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

Systemtic Name: 3-methylbutyl 4-[2,2,2-tris(fluoranyl)ethanoylamino]benzoate Openeye Name: isopentyl 4-[(2,2,2-trifluoroacetyl)amino]benzoate CAS Name: 4-[(2,2,2-trifluoro-1-oxoethyl)amino]benzoic acid 3-methylbutyl ester IUPAC Name: 3-methylbutyl 4-[(2,2,2-trifluoroacetyl)amino]benzoate Traditional Name: 4-[(2,2,2-trifluoroacetyl)amino]benzoic acid isoamyl ester Formula: C14H16F3NO3 MolecularWeight: 303.27695

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H16F3NO3/c1-9(2)7-8-21-12(19)10-3-5-11(6-4-10)18-13(20)14(15,16)17/h3-6,9H,7-8H2,1-2H3,(H,18,20)