(1R,3S)-3-[3-[2,2-bis(fluoranyl)ethoxy]-3-oxidanylidene-prop-1-ynyl]-1-[cyano-(3-phenoxyphenyl)methyl]-2,2-dimethyl-cyclopropane-1-carboxylate

Systemtic Name: (1R,3S)-3-[3-[2,2-bis(fluoranyl)ethoxy]-3-oxidanylidene-prop-1-ynyl]-1-[cyano-(3-phenoxyphenyl)methyl]-2,2-dimethyl-cyclopropane-1-carboxylate Openeye Name: (1R,3S)-1-[cyano-(3-phenoxyphenyl)methyl]-3-[3-(2,2-difluoroethoxy)-3-oxo-prop-1-ynyl]-2,2-dimethyl-cyclopropanecarboxylate CAS Name: (1R,3S)-1-[cyano-(3-phenoxyphenyl)methyl]-3-[3-(2,2-difluoroethoxy)-3-oxoprop-1-ynyl]-2,2-dimethyl-1-cyclopropanecarboxylate IUPAC Name: (1R,3S)-1-[cyano-(3-phenoxyphenyl)methyl]-3-[3-(2,2-difluoroethoxy)-3-oxoprop-1-ynyl]-2,2-dimethylcyclopropane-1-carboxylate Traditional Name: (1R,3S)-1-[cyano-(3-phenoxyphenyl)methyl]-3-[3-(2,2-difluoroethoxy)-3-keto-prop-1-ynyl]-2,2-dimethyl-cyclopropanecarboxylate Formula: C25H20F2NO5- MolecularWeight: 452.426806

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(C1(C(C#N)C2=CC(=CC=C2)OC3=CC=CC=C3)C(=O)[O-])C#CC(=O)OCC(F)F)C

Isomeric SMILES

CC1([C@@H]([C@]1(C(C#N)C2=CC(=CC=C2)OC3=CC=CC=C3)C(=O)[O-])C#CC(=O)OCC(F)F)C

InChI

InChI=1S/C25H21F2NO5/c1-24(2)20(11-12-22(29)32-15-21(26)27)25(24,23(30)31)19(14-28)16-7-6-10-18(13-16)33-17-8-4-3-5-9-17/h3-10,13,19-21H,15H2,1-2H3,(H,30,31)/p-1/t19?,20-,25+/m0/s1