(4-cyano-2-fluoranyl-phenyl) 4-(4-methylcyclohexyl)benzoate

Systemtic Name: (4-cyano-2-fluoranyl-phenyl) 4-(4-methylcyclohexyl)benzoate Openeye Name: (4-cyano-2-fluoro-phenyl) 4-(4-methylcyclohexyl)benzoate CAS Name: 4-(4-methylcyclohexyl)benzoic acid (4-cyano-2-fluorophenyl) ester IUPAC Name: (4-cyano-2-fluorophenyl) 4-(4-methylcyclohexyl)benzoate Traditional Name: 4-(4-methylcyclohexyl)benzoic acid (4-cyano-2-fluoro-phenyl) ester Formula: C21H20FNO2 MolecularWeight: 337.387403

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(CC1)C2=CC=C(C=C2)C(=O)OC3=C(C=C(C=C3)C#N)F

Isomeric SMILES

CC1CCC(CC1)C2=CC=C(C=C2)C(=O)OC3=C(C=C(C=C3)C#N)F

InChI

InChI=1S/C21H20FNO2/c1-14-2-5-16(6-3-14)17-7-9-18(10-8-17)21(24)25-20-11-4-15(13-23)12-19(20)22/h4,7-12,14,16H,2-3,5-6H2,1H3