(phenylmethyl) 6-azanyl-2-[2,2,2-tris(fluoranyl)ethanoylamino]hexanoate

Systemtic Name: (phenylmethyl) 6-azanyl-2-[2,2,2-tris(fluoranyl)ethanoylamino]hexanoate Openeye Name: benzyl 6-amino-2-[(2,2,2-trifluoroacetyl)amino]hexanoate CAS Name: 6-amino-2-[(2,2,2-trifluoro-1-oxoethyl)amino]hexanoic acid (phenylmethyl) ester IUPAC Name: benzyl 6-amino-2-[(2,2,2-trifluoroacetyl)amino]hexanoate Traditional Name: 6-amino-2-[(2,2,2-trifluoroacetyl)amino]hexanoic acid benzyl ester Formula: C15H19F3N2O3 MolecularWeight: 332.31817

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)C(CCCCN)NC(=O)C(F)(F)F

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)C(CCCCN)NC(=O)C(F)(F)F

InChI

InChI=1S/C15H19F3N2O3/c16-15(17,18)14(22)20-12(8-4-5-9-19)13(21)23-10-11-6-2-1-3-7-11/h1-3,6-7,12H,4-5,8-10,19H2,(H,20,22)