(1-cyano-6-fluoranyl-cyclohexa-2,4-dien-1-yl) 4-(4-ethylcyclohexyl)benzoate

Systemtic Name: (1-cyano-6-fluoranyl-cyclohexa-2,4-dien-1-yl) 4-(4-ethylcyclohexyl)benzoate Openeye Name: (1-cyano-6-fluoro-cyclohexa-2,4-dien-1-yl) 4-(4-ethylcyclohexyl)benzoate CAS Name: 4-(4-ethylcyclohexyl)benzoic acid (1-cyano-6-fluoro-1-cyclohexa-2,4-dienyl) ester IUPAC Name: (1-cyano-6-fluorocyclohexa-2,4-dien-1-yl) 4-(4-ethylcyclohexyl)benzoate Traditional Name: 4-(4-ethylcyclohexyl)benzoic acid (1-cyano-6-fluoro-cyclohexa-2,4-dien-1-yl) ester Formula: C22H24FNO2 MolecularWeight: 353.429863

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CCC(CC1)C2=CC=C(C=C2)C(=O)OC3(C=CC=CC3F)C#N

Isomeric SMILES

CCC1CCC(CC1)C2=CC=C(C=C2)C(=O)OC3(C=CC=CC3F)C#N

InChI

InChI=1S/C22H24FNO2/c1-2-16-6-8-17(9-7-16)18-10-12-19(13-11-18)21(25)26-22(15-24)14-4-3-5-20(22)23/h3-5,10-14,16-17,20H,2,6-9H2,1H3