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

Systemtic Name: ethyl (1S,2S,3R)-1-cyano-2-phenyl-3-(phenylcarbonyl)cyclopropane-1-carboxylate Openeye Name: ethyl (1S,2R,3S)-2-benzoyl-1-cyano-3-phenyl-cyclopropanecarboxylate CAS Name: (1S,2R,3S)-2-benzoyl-1-cyano-3-phenyl-1-cyclopropanecarboxylic acid ethyl ester IUPAC Name: ethyl (1S,2R,3S)-2-benzoyl-1-cyano-3-phenylcyclopropane-1-carboxylate Traditional Name: (1S,2R,3S)-2-benzoyl-1-cyano-3-phenyl-cyclopropanecarboxylic acid ethyl ester Formula: C20H17NO3 MolecularWeight: 319.35388

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H17NO3/c1-2-24-19(23)20(13-21)16(14-9-5-3-6-10-14)17(20)18(22)15-11-7-4-8-12-15/h3-12,16-17H,2H2,1H3/t16-,17+,20+/m1/s1