[(1R,2R)-1-phenyl-5-phenylmethoxy-2-(trifluoromethyl)pent-3-ynyl] ethanoate

Systemtic Name: [(1R,2R)-1-phenyl-5-phenylmethoxy-2-(trifluoromethyl)pent-3-ynyl] ethanoate Openeye Name: [(1R,2R)-5-benzyloxy-1-phenyl-2-(trifluoromethyl)pent-3-ynyl] acetate CAS Name: acetic acid [(1R,2R)-1-phenyl-5-phenylmethoxy-2-(trifluoromethyl)pent-3-ynyl] ester IUPAC Name: [(1R,2R)-1-phenyl-5-phenylmethoxy-2-(trifluoromethyl)pent-3-ynyl] acetate Traditional Name: acetic acid [(1R,2R)-5-benzoxy-1-phenyl-2-(trifluoromethyl)pent-3-ynyl] ester Formula: C21H19F3O3 MolecularWeight: 376.36897

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H19F3O3/c1-16(25)27-20(18-11-6-3-7-12-18)19(21(22,23)24)13-8-14-26-15-17-9-4-2-5-10-17/h2-7,9-12,19-20H,14-15H2,1H3/t19-,20+/m1/s1