ethyl (1R,2S,3R,6R)-1-cyano-3-oxidanyl-4-oxidanylidene-2,6-diphenyl-cyclohexane-1-carboxylate

Systemtic Name: ethyl (1R,2S,3R,6R)-1-cyano-3-oxidanyl-4-oxidanylidene-2,6-diphenyl-cyclohexane-1-carboxylate Openeye Name: ethyl (1R,2S,3R,6R)-1-cyano-3-hydroxy-4-oxo-2,6-diphenyl-cyclohexanecarboxylate CAS Name: (1R,2S,3R,6R)-1-cyano-3-hydroxy-4-oxo-2,6-diphenyl-1-cyclohexanecarboxylic acid ethyl ester IUPAC Name: ethyl (1R,2S,3R,6R)-1-cyano-3-hydroxy-4-oxo-2,6-diphenylcyclohexane-1-carboxylate Traditional Name: (1R,2S,3R,6R)-1-cyano-3-hydroxy-4-keto-2,6-diphenyl-cyclohexanecarboxylic acid ethyl ester Formula: C22H21NO4 MolecularWeight: 363.40644

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(C(CC(=O)C(C1C2=CC=CC=C2)O)C3=CC=CC=C3)C#N

Isomeric SMILES

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

InChI

InChI=1S/C22H21NO4/c1-2-27-21(26)22(14-23)17(15-9-5-3-6-10-15)13-18(24)20(25)19(22)16-11-7-4-8-12-16/h3-12,17,19-20,25H,2,13H2,1H3/t17-,19-,20+,22-/m1/s1