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

Systemtic Name: ethyl 3-cyano-2-oxidanyl-6-oxidanylidene-2,3,4-triphenyl-cyclohexane-1-carboxylate Openeye Name: ethyl 3-cyano-2-hydroxy-6-oxo-2,3,4-triphenyl-cyclohexanecarboxylate CAS Name: 3-cyano-2-hydroxy-6-oxo-2,3,4-triphenyl-1-cyclohexanecarboxylic acid ethyl ester IUPAC Name: ethyl 3-cyano-2-hydroxy-6-oxo-2,3,4-triphenylcyclohexane-1-carboxylate Traditional Name: 3-cyano-2-hydroxy-6-keto-2,3,4-triphenyl-cyclohexanecarboxylic acid ethyl ester Formula: C28H25NO4 MolecularWeight: 439.5024

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1C(=O)CC(C(C1(C2=CC=CC=C2)O)(C#N)C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1C(=O)CC(C(C1(C2=CC=CC=C2)O)(C#N)C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C28H25NO4/c1-2-33-26(31)25-24(30)18-23(20-12-6-3-7-13-20)27(19-29,21-14-8-4-9-15-21)28(25,32)22-16-10-5-11-17-22/h3-17,23,25,32H,2,18H2,1H3