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

Systemtic Name: ethyl (1S,2S,3R)-1-cyano-2-(4-methylphenyl)-3-(phenylcarbonyl)cyclopropane-1-carboxylate Openeye Name: ethyl (1S,2R,3S)-2-benzoyl-1-cyano-3-(p-tolyl)cyclopropanecarboxylate CAS Name: (1S,2R,3S)-2-benzoyl-1-cyano-3-(4-methylphenyl)-1-cyclopropanecarboxylic acid ethyl ester IUPAC Name: ethyl (1S,2R,3S)-2-benzoyl-1-cyano-3-(4-methylphenyl)cyclopropane-1-carboxylate Traditional Name: (1S,2R,3S)-2-benzoyl-1-cyano-3-(p-tolyl)cyclopropanecarboxylic acid ethyl ester Formula: C21H19NO3 MolecularWeight: 333.38046

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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)C)C#N

Isomeric SMILES

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

InChI

InChI=1S/C21H19NO3/c1-3-25-20(24)21(13-22)17(15-11-9-14(2)10-12-15)18(21)19(23)16-7-5-4-6-8-16/h4-12,17-18H,3H2,1-2H3/t17-,18+,21+/m1/s1