[(4R,5S)-1-phenylmethoxy-4-(trifluoromethyl)non-2-yn-5-yl] benzoate

Systemtic Name: [(4R,5S)-1-phenylmethoxy-4-(trifluoromethyl)non-2-yn-5-yl] benzoate Openeye Name: [(1S,2R)-5-benzyloxy-1-butyl-2-(trifluoromethyl)pent-3-ynyl] benzoate CAS Name: benzoic acid [(4R,5S)-1-phenylmethoxy-4-(trifluoromethyl)non-2-yn-5-yl] ester IUPAC Name: [(4R,5S)-1-phenylmethoxy-4-(trifluoromethyl)non-2-yn-5-yl] benzoate Traditional Name: benzoic acid [(1S,2R)-5-benzoxy-1-butyl-2-(trifluoromethyl)pent-3-ynyl] ester Formula: C24H25F3O3 MolecularWeight: 418.44871

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C(C#CCOCC1=CC=CC=C1)C(F)(F)F)OC(=O)C2=CC=CC=C2

Isomeric SMILES

CCCC[C@@H]([C@@H](C#CCOCC1=CC=CC=C1)C(F)(F)F)OC(=O)C2=CC=CC=C2

InChI

InChI=1S/C24H25F3O3/c1-2-3-16-22(30-23(28)20-13-8-5-9-14-20)21(24(25,26)27)15-10-17-29-18-19-11-6-4-7-12-19/h4-9,11-14,21-22H,2-3,16-18H2,1H3/t21-,22+/m1/s1