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

Systemtic Name: (1-cyano-6-fluoranyl-cyclohexa-2,4-dien-1-yl) 4-(4-propylcyclohexyl)benzoate Openeye Name: (1-cyano-6-fluoro-cyclohexa-2,4-dien-1-yl) 4-(4-propylcyclohexyl)benzoate CAS Name: 4-(4-propylcyclohexyl)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-propylcyclohexyl)benzoate Traditional Name: 4-(4-propylcyclohexyl)benzoic acid (1-cyano-6-fluoro-cyclohexa-2,4-dien-1-yl) ester Formula: C23H26FNO2 MolecularWeight: 367.456443

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1CCC(CC1)C2=CC=C(C=C2)C(=O)OC3(C=CC=CC3F)C#N

Isomeric SMILES

CCCC1CCC(CC1)C2=CC=C(C=C2)C(=O)OC3(C=CC=CC3F)C#N

InChI

InChI=1S/C23H26FNO2/c1-2-5-17-7-9-18(10-8-17)19-11-13-20(14-12-19)22(26)27-23(16-25)15-4-3-6-21(23)24/h3-4,6,11-15,17-18,21H,2,5,7-10H2,1H3