ethyl 2-cyano-1-phenyl-cyclohex-2-ene-1-carboxylate; ethyl 2-oxidanylidene-1-phenyl-cyclohexane-1-carboxylate

Systemtic Name: ethyl 2-cyano-1-phenyl-cyclohex-2-ene-1-carboxylate; ethyl 2-oxidanylidene-1-phenyl-cyclohexane-1-carboxylate Openeye Name: ethyl 2-cyano-1-phenyl-cyclohex-2-ene-1-carboxylate; ethyl 2-oxo-1-phenyl-cyclohexanecarboxylate CAS Name: 2-cyano-1-phenyl-1-cyclohex-2-enecarboxylic acid ethyl ester; 2-oxo-1-phenyl-1-cyclohexanecarboxylic acid ethyl ester IUPAC Name: ethyl 2-cyano-1-phenylcyclohex-2-ene-1-carboxylate; ethyl 2-oxo-1-phenylcyclohexane-1-carboxylate Traditional Name: 2-cyano-1-phenyl-cyclohex-2-ene-1-carboxylic acid ethyl ester; 2-keto-1-phenyl-cyclohexanecarboxylic acid ethyl ester Formula: C31H35NO5 MolecularWeight: 501.6133

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CCCCC1=O)C2=CC=CC=C2.CCOC(=O)C1(CCCC=C1C#N)C2=CC=CC=C2

Isomeric SMILES

CCOC(=O)C1(CCCCC1=O)C2=CC=CC=C2.CCOC(=O)C1(CCCC=C1C#N)C2=CC=CC=C2

InChI

InChI=1S/C16H17NO2.C15H18O3/c1-2-19-15(18)16(13-8-4-3-5-9-13)11-7-6-10-14(16)12-17;1-2-18-14(17)15(11-7-6-10-13(15)16)12-8-4-3-5-9-12/h3-5,8-10H,2,6-7,11H2,1H3;3-5,8-9H,2,6-7,10-11H2,1H3