[(1S)-1-cyclohexylprop-2-ynyl] (2S)-3,3,3-tris(fluoranyl)-2-methoxy-2-phenyl-propanoate

Systemtic Name: [(1S)-1-cyclohexylprop-2-ynyl] (2S)-3,3,3-tris(fluoranyl)-2-methoxy-2-phenyl-propanoate Openeye Name: [(1S)-1-cyclohexylprop-2-ynyl] (2S)-3,3,3-trifluoro-2-methoxy-2-phenyl-propanoate CAS Name: (2S)-3,3,3-trifluoro-2-methoxy-2-phenylpropanoic acid [(1S)-1-cyclohexylprop-2-ynyl] ester IUPAC Name: [(1S)-1-cyclohexylprop-2-ynyl] (2S)-3,3,3-trifluoro-2-methoxy-2-phenylpropanoate Traditional Name: (2S)-3,3,3-trifluoro-2-methoxy-2-phenyl-propionic acid [(1S)-1-cyclohexylprop-2-ynyl] ester Formula: C19H21F3O3 MolecularWeight: 354.36345

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(C1=CC=CC=C1)(C(=O)OC(C#C)C2CCCCC2)C(F)(F)F

Isomeric SMILES

CO[C@@](C1=CC=CC=C1)(C(=O)O[C@H](C#C)C2CCCCC2)C(F)(F)F

InChI

InChI=1S/C19H21F3O3/c1-3-16(14-10-6-4-7-11-14)25-17(23)18(24-2,19(20,21)22)15-12-8-5-9-13-15/h1,5,8-9,12-14,16H,4,6-7,10-11H2,2H3/t16-,18+/m1/s1