methyl 5-cyano-1-(4-ethoxyphenyl)-2-oxidanylidene-cyclohexane-1-carboxylate

Systemtic Name: methyl 5-cyano-1-(4-ethoxyphenyl)-2-oxidanylidene-cyclohexane-1-carboxylate Openeye Name: methyl 5-cyano-1-(4-ethoxyphenyl)-2-oxo-cyclohexanecarboxylate CAS Name: 5-cyano-1-(4-ethoxyphenyl)-2-oxo-1-cyclohexanecarboxylic acid methyl ester IUPAC Name: methyl 5-cyano-1-(4-ethoxyphenyl)-2-oxocyclohexane-1-carboxylate Traditional Name: 5-cyano-2-keto-1-p-phenetyl-cyclohexanecarboxylic acid methyl ester Formula: C17H19NO4 MolecularWeight: 301.33706

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C2(CC(CCC2=O)C#N)C(=O)OC

Isomeric SMILES

CCOC1=CC=C(C=C1)C2(CC(CCC2=O)C#N)C(=O)OC

InChI

InChI=1S/C17H19NO4/c1-3-22-14-7-5-13(6-8-14)17(16(20)21-2)10-12(11-18)4-9-15(17)19/h5-8,12H,3-4,9-10H2,1-2H3