methyl (2S,6R)-1-cyano-4-oxidanylidene-2,6-diphenyl-cyclohexane-1-carboxylate

Systemtic Name: methyl (2S,6R)-1-cyano-4-oxidanylidene-2,6-diphenyl-cyclohexane-1-carboxylate Openeye Name: methyl (2S,6R)-1-cyano-4-oxo-2,6-diphenyl-cyclohexanecarboxylate CAS Name: (2S,6R)-1-cyano-4-oxo-2,6-diphenyl-1-cyclohexanecarboxylic acid methyl ester IUPAC Name: methyl (2S,6R)-1-cyano-4-oxo-2,6-diphenylcyclohexane-1-carboxylate Traditional Name: (2S,6R)-1-cyano-4-keto-2,6-diphenyl-cyclohexanecarboxylic acid methyl ester Formula: C21H19NO3 MolecularWeight: 333.38046

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1(C(CC(=O)CC1C2=CC=CC=C2)C3=CC=CC=C3)C#N

Isomeric SMILES

COC(=O)C1([C@H](CC(=O)C[C@H]1C2=CC=CC=C2)C3=CC=CC=C3)C#N

InChI

InChI=1S/C21H19NO3/c1-25-20(24)21(14-22)18(15-8-4-2-5-9-15)12-17(23)13-19(21)16-10-6-3-7-11-16/h2-11,18-19H,12-13H2,1H3/t18-,19+,21?