[(2S,5S)-5-[4-cyano-3-(trifluoromethyl)phenoxy]hexan-2-yl] ethanoate

Systemtic Name: [(2S,5S)-5-[4-cyano-3-(trifluoromethyl)phenoxy]hexan-2-yl] ethanoate Openeye Name: [(1S,4S)-4-[4-cyano-3-(trifluoromethyl)phenoxy]-1-methyl-pentyl] acetate CAS Name: acetic acid [(2S,5S)-5-[4-cyano-3-(trifluoromethyl)phenoxy]hexan-2-yl] ester IUPAC Name: [(2S,5S)-5-[4-cyano-3-(trifluoromethyl)phenoxy]hexan-2-yl] acetate Traditional Name: acetic acid [(1S,4S)-4-[4-cyano-3-(trifluoromethyl)phenoxy]-1-methyl-pentyl] ester Formula: C16H18F3NO3 MolecularWeight: 329.31423

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCC(C)OC(=O)C)OC1=CC(=C(C=C1)C#N)C(F)(F)F

Isomeric SMILES

C[C@@H](CC[C@H](C)OC(=O)C)OC1=CC(=C(C=C1)C#N)C(F)(F)F

InChI

InChI=1S/C16H18F3NO3/c1-10(22-12(3)21)4-5-11(2)23-14-7-6-13(9-20)15(8-14)16(17,18)19/h6-8,10-11H,4-5H2,1-3H3/t10-,11-/m0/s1