propan-2-yl 5-cyano-5-(3-fluoranyl-5-propyl-phenyl)-2-oxidanylidene-cyclohexane-1-carboxylate

Systemtic Name: propan-2-yl 5-cyano-5-(3-fluoranyl-5-propyl-phenyl)-2-oxidanylidene-cyclohexane-1-carboxylate Openeye Name: isopropyl 5-cyano-5-(3-fluoro-5-propyl-phenyl)-2-oxo-cyclohexanecarboxylate CAS Name: 5-cyano-5-(3-fluoro-5-propylphenyl)-2-oxo-1-cyclohexanecarboxylic acid propan-2-yl ester IUPAC Name: propan-2-yl 5-cyano-5-(3-fluoro-5-propylphenyl)-2-oxocyclohexane-1-carboxylate Traditional Name: 5-cyano-5-(3-fluoro-5-propyl-phenyl)-2-keto-cyclohexanecarboxylic acid isopropyl ester Formula: C20H24FNO3 MolecularWeight: 345.407863

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=CC(=C1)C2(CCC(=O)C(C2)C(=O)OC(C)C)C#N)F

Isomeric SMILES

CCCC1=CC(=CC(=C1)C2(CCC(=O)C(C2)C(=O)OC(C)C)C#N)F

InChI

InChI=1S/C20H24FNO3/c1-4-5-14-8-15(10-16(21)9-14)20(12-22)7-6-18(23)17(11-20)19(24)25-13(2)3/h8-10,13,17H,4-7,11H2,1-3H3