methyl 4-cyano-4-(2-fluoranyl-4-methyl-phenyl)cyclohexane-1-carboxylate

Systemtic Name: methyl 4-cyano-4-(2-fluoranyl-4-methyl-phenyl)cyclohexane-1-carboxylate Openeye Name: methyl 4-cyano-4-(2-fluoro-4-methyl-phenyl)cyclohexanecarboxylate CAS Name: 4-cyano-4-(2-fluoro-4-methylphenyl)-1-cyclohexanecarboxylic acid methyl ester IUPAC Name: methyl 4-cyano-4-(2-fluoro-4-methylphenyl)cyclohexane-1-carboxylate Traditional Name: 4-cyano-4-(2-fluoro-4-methyl-phenyl)cyclohexanecarboxylic acid methyl ester Formula: C16H18FNO2 MolecularWeight: 275.318023

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C2(CCC(CC2)C(=O)OC)C#N)F

Isomeric SMILES

CC1=CC(=C(C=C1)C2(CCC(CC2)C(=O)OC)C#N)F

InChI

InChI=1S/C16H18FNO2/c1-11-3-4-13(14(17)9-11)16(10-18)7-5-12(6-8-16)15(19)20-2/h3-4,9,12H,5-8H2,1-2H3