ethyl 5-cyano-5-(2-ethoxy-4-fluoranyl-6-methyl-phenyl)-2-oxidanylidene-cyclohexane-1-carboxylate

Systemtic Name: ethyl 5-cyano-5-(2-ethoxy-4-fluoranyl-6-methyl-phenyl)-2-oxidanylidene-cyclohexane-1-carboxylate Openeye Name: ethyl 5-cyano-5-(2-ethoxy-4-fluoro-6-methyl-phenyl)-2-oxo-cyclohexanecarboxylate CAS Name: 5-cyano-5-(2-ethoxy-4-fluoro-6-methylphenyl)-2-oxo-1-cyclohexanecarboxylic acid ethyl ester IUPAC Name: ethyl 5-cyano-5-(2-ethoxy-4-fluoro-6-methylphenyl)-2-oxocyclohexane-1-carboxylate Traditional Name: 5-cyano-5-(2-ethoxy-4-fluoro-6-methyl-phenyl)-2-keto-cyclohexanecarboxylic acid ethyl ester Formula: C19H22FNO4 MolecularWeight: 347.380683

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=CC(=C1)F)C)C2(CCC(=O)C(C2)C(=O)OCC)C#N

Isomeric SMILES

CCOC1=C(C(=CC(=C1)F)C)C2(CCC(=O)C(C2)C(=O)OCC)C#N

InChI

InChI=1S/C19H22FNO4/c1-4-24-16-9-13(20)8-12(3)17(16)19(11-21)7-6-15(22)14(10-19)18(23)25-5-2/h8-9,14H,4-7,10H2,1-3H3