[4-[(1E,3E)-4-cyanobuta-1,3-dienyl]cyclohexyl] 4-fluoranylbenzoate

Systemtic Name: [4-[(1E,3E)-4-cyanobuta-1,3-dienyl]cyclohexyl] 4-fluoranylbenzoate Openeye Name: [4-[(1E,3E)-4-cyanobuta-1,3-dienyl]cyclohexyl] 4-fluorobenzoate CAS Name: 4-fluorobenzoic acid [4-[(1E,3E)-4-cyanobuta-1,3-dienyl]cyclohexyl] ester IUPAC Name: [4-[(1E,3E)-4-cyanobuta-1,3-dienyl]cyclohexyl] 4-fluorobenzoate Traditional Name: 4-fluorobenzoic acid [4-[(1E,3E)-4-cyanobuta-1,3-dienyl]cyclohexyl] ester Formula: C18H18FNO2 MolecularWeight: 299.339423

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CCC1C=CC=CC#N)OC(=O)C2=CC=C(C=C2)F

Isomeric SMILES

C1CC(CCC1/C=C/C=C/C#N)OC(=O)C2=CC=C(C=C2)F

InChI

InChI=1S/C18H18FNO2/c19-16-9-7-15(8-10-16)18(21)22-17-11-5-14(6-12-17)4-2-1-3-13-20/h1-4,7-10,14,17H,5-6,11-12H2/b3-1+,4-2+