cyclohexyl (1S,2S,3S)-1-cyano-2-ethanoyl-3-phenyl-cyclopropane-1-carboxylate

Systemtic Name: cyclohexyl (1S,2S,3S)-1-cyano-2-ethanoyl-3-phenyl-cyclopropane-1-carboxylate Openeye Name: cyclohexyl (1S,2S,3S)-2-acetyl-1-cyano-3-phenyl-cyclopropanecarboxylate CAS Name: (1S,2S,3S)-2-acetyl-1-cyano-3-phenyl-1-cyclopropanecarboxylic acid cyclohexyl ester IUPAC Name: cyclohexyl (1S,2S,3S)-2-acetyl-1-cyano-3-phenylcyclopropane-1-carboxylate Traditional Name: (1S,2S,3S)-2-acetyl-1-cyano-3-phenyl-cyclopropanecarboxylic acid cyclohexyl ester Formula: C19H21NO3 MolecularWeight: 311.37494

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1C(C1(C#N)C(=O)OC2CCCCC2)C3=CC=CC=C3

Isomeric SMILES

CC(=O)[C@H]1[C@H]([C@]1(C#N)C(=O)OC2CCCCC2)C3=CC=CC=C3

InChI

InChI=1S/C19H21NO3/c1-13(21)16-17(14-8-4-2-5-9-14)19(16,12-20)18(22)23-15-10-6-3-7-11-15/h2,4-5,8-9,15-17H,3,6-7,10-11H2,1H3/t16-,17+,19+/m0/s1