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

Systemtic Name: ethyl 3-cyano-6-oxidanylidene-2,3,4-triphenyl-cyclohexane-1-carboxylate Openeye Name: ethyl 3-cyano-6-oxo-2,3,4-triphenyl-cyclohexanecarboxylate CAS Name: 3-cyano-6-oxo-2,3,4-triphenyl-1-cyclohexanecarboxylic acid ethyl ester IUPAC Name: ethyl 3-cyano-6-oxo-2,3,4-triphenylcyclohexane-1-carboxylate Traditional Name: 3-cyano-6-keto-2,3,4-triphenyl-cyclohexanecarboxylic acid ethyl ester Formula: C28H25NO3 MolecularWeight: 423.503

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1C(C(C(CC1=O)C2=CC=CC=C2)(C#N)C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1C(C(C(CC1=O)C2=CC=CC=C2)(C#N)C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C28H25NO3/c1-2-32-27(31)25-24(30)18-23(20-12-6-3-7-13-20)28(19-29,22-16-10-5-11-17-22)26(25)21-14-8-4-9-15-21/h3-17,23,25-26H,2,18H2,1H3