ethyl 5-cyano-5-(2-naphthalen-1-ylphenyl)-2-oxidanylidene-cyclohexane-1-carboxylate

Systemtic Name: ethyl 5-cyano-5-(2-naphthalen-1-ylphenyl)-2-oxidanylidene-cyclohexane-1-carboxylate Openeye Name: ethyl 5-cyano-5-[2-(1-naphthyl)phenyl]-2-oxo-cyclohexanecarboxylate CAS Name: 5-cyano-5-[2-(1-naphthalenyl)phenyl]-2-oxo-1-cyclohexanecarboxylic acid ethyl ester IUPAC Name: ethyl 5-cyano-5-(2-naphthalen-1-ylphenyl)-2-oxocyclohexane-1-carboxylate Traditional Name: 5-cyano-2-keto-5-[2-(1-naphthyl)phenyl]cyclohexanecarboxylic acid ethyl ester Formula: C26H23NO3 MolecularWeight: 397.46572

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CC(CCC1=O)(C#N)C2=CC=CC=C2C3=CC=CC4=CC=CC=C43

Isomeric SMILES

CCOC(=O)C1CC(CCC1=O)(C#N)C2=CC=CC=C2C3=CC=CC4=CC=CC=C43

InChI

InChI=1S/C26H23NO3/c1-2-30-25(29)22-16-26(17-27,15-14-24(22)28)23-13-6-5-11-21(23)20-12-7-9-18-8-3-4-10-19(18)20/h3-13,22H,2,14-16H2,1H3