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

Systemtic Name: (phenylmethyl) (1S,2S,3S)-1-cyano-2-ethanoyl-3-phenyl-cyclopropane-1-carboxylate Openeye Name: benzyl (1S,2S,3S)-2-acetyl-1-cyano-3-phenyl-cyclopropanecarboxylate CAS Name: (1S,2S,3S)-2-acetyl-1-cyano-3-phenyl-1-cyclopropanecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl (1S,2S,3S)-2-acetyl-1-cyano-3-phenylcyclopropane-1-carboxylate Traditional Name: (1S,2S,3S)-2-acetyl-1-cyano-3-phenyl-cyclopropanecarboxylic acid benzyl ester Formula: C20H17NO3 MolecularWeight: 319.35388

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1C(C1(C#N)C(=O)OCC2=CC=CC=C2)C3=CC=CC=C3

Isomeric SMILES

CC(=O)[C@H]1[C@H]([C@]1(C#N)C(=O)OCC2=CC=CC=C2)C3=CC=CC=C3

InChI

InChI=1S/C20H17NO3/c1-14(22)17-18(16-10-6-3-7-11-16)20(17,13-21)19(23)24-12-15-8-4-2-5-9-15/h2-11,17-18H,12H2,1H3/t17-,18+,20+/m0/s1