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

Systemtic Name: (1-cyano-6-fluoranyl-cyclohexa-2,4-dien-1-yl) 4-(4-pentylcyclohexyl)benzoate Openeye Name: (1-cyano-6-fluoro-cyclohexa-2,4-dien-1-yl) 4-(4-pentylcyclohexyl)benzoate CAS Name: 4-(4-pentylcyclohexyl)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-pentylcyclohexyl)benzoate Traditional Name: 4-(4-amylcyclohexyl)benzoic acid (1-cyano-6-fluoro-cyclohexa-2,4-dien-1-yl) ester Formula: C25H30FNO2 MolecularWeight: 395.509603

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1CCC(CC1)C2=CC=C(C=C2)C(=O)OC3(C=CC=CC3F)C#N

Isomeric SMILES

CCCCCC1CCC(CC1)C2=CC=C(C=C2)C(=O)OC3(C=CC=CC3F)C#N

InChI

InChI=1S/C25H30FNO2/c1-2-3-4-7-19-9-11-20(12-10-19)21-13-15-22(16-14-21)24(28)29-25(18-27)17-6-5-8-23(25)26/h5-6,8,13-17,19-20,23H,2-4,7,9-12H2,1H3