[(2R,3S)-3-azanyl-2-ethyl-4,4,4-tris(fluoranyl)butyl] benzoate

Systemtic Name: [(2R,3S)-3-azanyl-2-ethyl-4,4,4-tris(fluoranyl)butyl] benzoate Openeye Name: [(2R,3S)-3-amino-2-ethyl-4,4,4-trifluoro-butyl] benzoate CAS Name: benzoic acid [(2R,3S)-3-amino-2-ethyl-4,4,4-trifluorobutyl] ester IUPAC Name: [(2R,3S)-3-amino-2-ethyl-4,4,4-trifluorobutyl] benzoate Traditional Name: benzoic acid [(2R,3S)-3-amino-2-ethyl-4,4,4-trifluoro-butyl] ester Formula: C13H16F3NO2 MolecularWeight: 275.26685

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Descriptors Computed from Structure

Canonical SMILES:

CCC(COC(=O)C1=CC=CC=C1)C(C(F)(F)F)N

Isomeric SMILES

CC[C@@H](COC(=O)C1=CC=CC=C1)[C@@H](C(F)(F)F)N

InChI

InChI=1S/C13H16F3NO2/c1-2-9(11(17)13(14,15)16)8-19-12(18)10-6-4-3-5-7-10/h3-7,9,11H,2,8,17H2,1H3/t9-,11-/m0/s1