[(3R,4R)-4-methoxy-1-phenyl-hex-5-en-1-yn-3-yl] 3,3,3-tris(fluoranyl)-2-methoxy-2-phenyl-propanoate

Systemtic Name: [(3R,4R)-4-methoxy-1-phenyl-hex-5-en-1-yn-3-yl] 3,3,3-tris(fluoranyl)-2-methoxy-2-phenyl-propanoate Openeye Name: [(1R,2R)-2-methoxy-1-(2-phenylethynyl)but-3-enyl] 3,3,3-trifluoro-2-methoxy-2-phenyl-propanoate CAS Name: 3,3,3-trifluoro-2-methoxy-2-phenylpropanoic acid [(3R,4R)-4-methoxy-1-phenylhex-5-en-1-yn-3-yl] ester IUPAC Name: [(3R,4R)-4-methoxy-1-phenylhex-5-en-1-yn-3-yl] 3,3,3-trifluoro-2-methoxy-2-phenylpropanoate Traditional Name: 3,3,3-trifluoro-2-methoxy-2-phenyl-propionic acid [(1R,2R)-2-methoxy-1-(2-phenylethynyl)but-3-enyl] ester Formula: C23H21F3O4 MolecularWeight: 418.40565

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(C=C)C(C#CC1=CC=CC=C1)OC(=O)C(C2=CC=CC=C2)(C(F)(F)F)OC

Isomeric SMILES

CO[C@H](C=C)[C@@H](C#CC1=CC=CC=C1)OC(=O)C(C2=CC=CC=C2)(C(F)(F)F)OC

InChI

InChI=1S/C23H21F3O4/c1-4-19(28-2)20(16-15-17-11-7-5-8-12-17)30-21(27)22(29-3,23(24,25)26)18-13-9-6-10-14-18/h4-14,19-20H,1H2,2-3H3/t19-,20-,22?/m1/s1