[(3R)-6-phenyl-1-phenylmethoxy-hex-5-yn-3-yl] 3,3,3-tris(fluoranyl)-2-methoxy-2-phenyl-propanoate

Systemtic Name: [(3R)-6-phenyl-1-phenylmethoxy-hex-5-yn-3-yl] 3,3,3-tris(fluoranyl)-2-methoxy-2-phenyl-propanoate Openeye Name: [(1R)-1-(2-benzyloxyethyl)-4-phenyl-but-3-ynyl] 3,3,3-trifluoro-2-methoxy-2-phenyl-propanoate CAS Name: 3,3,3-trifluoro-2-methoxy-2-phenylpropanoic acid [(3R)-6-phenyl-1-phenylmethoxyhex-5-yn-3-yl] ester IUPAC Name: [(3R)-6-phenyl-1-phenylmethoxyhex-5-yn-3-yl] 3,3,3-trifluoro-2-methoxy-2-phenylpropanoate Traditional Name: 3,3,3-trifluoro-2-methoxy-2-phenyl-propionic acid [(1R)-1-(2-benzoxyethyl)-4-phenyl-but-3-ynyl] ester Formula: C29H27F3O4 MolecularWeight: 496.51749

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Descriptors Computed from Structure

Canonical SMILES:

COC(C1=CC=CC=C1)(C(=O)OC(CCOCC2=CC=CC=C2)CC#CC3=CC=CC=C3)C(F)(F)F

Isomeric SMILES

COC(C1=CC=CC=C1)(C(=O)O[C@@H](CCOCC2=CC=CC=C2)CC#CC3=CC=CC=C3)C(F)(F)F

InChI

InChI=1S/C29H27F3O4/c1-34-28(29(30,31)32,25-17-9-4-10-18-25)27(33)36-26(19-11-16-23-12-5-2-6-13-23)20-21-35-22-24-14-7-3-8-15-24/h2-10,12-15,17-18,26H,19-22H2,1H3/t26-,28?/m1/s1