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

Systemtic Name: (1-cyano-6-fluoranyl-cyclohexa-2,4-dien-1-yl) 4-(4-butylcyclohexyl)benzoate Openeye Name: (1-cyano-6-fluoro-cyclohexa-2,4-dien-1-yl) 4-(4-butylcyclohexyl)benzoate CAS Name: 4-(4-butylcyclohexyl)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-butylcyclohexyl)benzoate Traditional Name: 4-(4-butylcyclohexyl)benzoic acid (1-cyano-6-fluoro-cyclohexa-2,4-dien-1-yl) ester Formula: C24H28FNO2 MolecularWeight: 381.483023

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1CCC(CC1)C2=CC=C(C=C2)C(=O)OC3(C=CC=CC3F)C#N

Isomeric SMILES

CCCCC1CCC(CC1)C2=CC=C(C=C2)C(=O)OC3(C=CC=CC3F)C#N

InChI

InChI=1S/C24H28FNO2/c1-2-3-6-18-8-10-19(11-9-18)20-12-14-21(15-13-20)23(27)28-24(17-26)16-5-4-7-22(24)25/h4-5,7,12-16,18-19,22H,2-3,6,8-11H2,1H3