ethyl (1S,2S,3R)-1-cyano-2-(4-fluorophenyl)-3-(phenylcarbonyl)cyclopropane-1-carboxylate

Systemtic Name: ethyl (1S,2S,3R)-1-cyano-2-(4-fluorophenyl)-3-(phenylcarbonyl)cyclopropane-1-carboxylate Openeye Name: ethyl (1S,2R,3S)-2-benzoyl-1-cyano-3-(4-fluorophenyl)cyclopropanecarboxylate CAS Name: (1S,2R,3S)-2-benzoyl-1-cyano-3-(4-fluorophenyl)-1-cyclopropanecarboxylic acid ethyl ester IUPAC Name: ethyl (1S,2R,3S)-2-benzoyl-1-cyano-3-(4-fluorophenyl)cyclopropane-1-carboxylate Traditional Name: (1S,2R,3S)-2-benzoyl-1-cyano-3-(4-fluorophenyl)cyclopropanecarboxylic acid ethyl ester Formula: C20H16FNO3 MolecularWeight: 337.344343

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(C(C1C(=O)C2=CC=CC=C2)C3=CC=C(C=C3)F)C#N

Isomeric SMILES

CCOC(=O)[C@]1([C@@H]([C@H]1C(=O)C2=CC=CC=C2)C3=CC=C(C=C3)F)C#N

InChI

InChI=1S/C20H16FNO3/c1-2-25-19(24)20(12-22)16(13-8-10-15(21)11-9-13)17(20)18(23)14-6-4-3-5-7-14/h3-11,16-17H,2H2,1H3/t16-,17+,20+/m1/s1