[(2S)-1-ethoxy-1-oxidanylidene-propan-2-yl] (1R,6S)-1-cyano-6-phenyl-cyclohex-3-ene-1-carboxylate

Systemtic Name: [(2S)-1-ethoxy-1-oxidanylidene-propan-2-yl] (1R,6S)-1-cyano-6-phenyl-cyclohex-3-ene-1-carboxylate Openeye Name: [(1S)-2-ethoxy-1-methyl-2-oxo-ethyl] (1R,6S)-1-cyano-6-phenyl-cyclohex-3-ene-1-carboxylate CAS Name: (1R,6S)-1-cyano-6-phenyl-1-cyclohex-3-enecarboxylic acid [(2S)-1-ethoxy-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-ethoxy-1-oxopropan-2-yl] (1R,6S)-1-cyano-6-phenylcyclohex-3-ene-1-carboxylate Traditional Name: (1R,6S)-1-cyano-6-phenyl-cyclohex-3-ene-1-carboxylic acid [(1S)-2-ethoxy-2-keto-1-methyl-ethyl] ester Formula: C19H21NO4 MolecularWeight: 327.37434

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C)OC(=O)C1(CC=CCC1C2=CC=CC=C2)C#N

Isomeric SMILES

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

InChI

InChI=1S/C19H21NO4/c1-3-23-17(21)14(2)24-18(22)19(13-20)12-8-7-11-16(19)15-9-5-4-6-10-15/h4-10,14,16H,3,11-12H2,1-2H3/t14-,16-,19-/m0/s1