[4-[(E)-2-cyano-2-fluoranyl-ethenyl]cyclohexyl] 4-butylcyclohexane-1-carboxylate

Systemtic Name: [4-[(E)-2-cyano-2-fluoranyl-ethenyl]cyclohexyl] 4-butylcyclohexane-1-carboxylate Openeye Name: [4-[(E)-2-cyano-2-fluoro-vinyl]cyclohexyl] 4-butylcyclohexanecarboxylate CAS Name: 4-butyl-1-cyclohexanecarboxylic acid [4-[(E)-2-cyano-2-fluoroethenyl]cyclohexyl] ester IUPAC Name: [4-[(E)-2-cyano-2-fluoroethenyl]cyclohexyl] 4-butylcyclohexane-1-carboxylate Traditional Name: 4-butylcyclohexanecarboxylic acid [4-[(E)-2-cyano-2-fluoro-vinyl]cyclohexyl] ester Formula: C20H30FNO2 MolecularWeight: 335.456103

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1CCC(CC1)C(=O)OC2CCC(CC2)C=C(C#N)F

Isomeric SMILES

CCCCC1CCC(CC1)C(=O)OC2CCC(CC2)/C=C(\C#N)/F

InChI

InChI=1S/C20H30FNO2/c1-2-3-4-15-5-9-17(10-6-15)20(23)24-19-11-7-16(8-12-19)13-18(21)14-22/h13,15-17,19H,2-12H2,1H3/b18-13+