ethyl 3-cyano-4-oxidanyl-6-oxidanylidene-2,4-diphenyl-cyclohexane-1-carboxylate

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1C(C(C(CC1=O)(C2=CC=CC=C2)O)C#N)C3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1C(C(C(CC1=O)(C2=CC=CC=C2)O)C#N)C3=CC=CC=C3

InChI

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