[4-[(1E,3E)-4-cyano-4-fluoranyl-buta-1,3-dienyl]cyclohexyl] 4-pentylbenzoate

Systemtic Name: [4-[(1E,3E)-4-cyano-4-fluoranyl-buta-1,3-dienyl]cyclohexyl] 4-pentylbenzoate Openeye Name: [4-[(1E,3E)-4-cyano-4-fluoro-buta-1,3-dienyl]cyclohexyl] 4-pentylbenzoate CAS Name: 4-pentylbenzoic acid [4-[(1E,3E)-4-cyano-4-fluorobuta-1,3-dienyl]cyclohexyl] ester IUPAC Name: [4-[(1E,3E)-4-cyano-4-fluorobuta-1,3-dienyl]cyclohexyl] 4-pentylbenzoate Traditional Name: 4-amylbenzoic acid [4-[(1E,3E)-4-cyano-4-fluoro-buta-1,3-dienyl]cyclohexyl] ester Formula: C23H28FNO2 MolecularWeight: 369.472323

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=CC=C(C=C1)C(=O)OC2CCC(CC2)C=CC=C(C#N)F

Isomeric SMILES

CCCCCC1=CC=C(C=C1)C(=O)OC2CCC(CC2)/C=C/C=C(\C#N)/F

InChI

InChI=1S/C23H28FNO2/c1-2-3-4-6-18-9-13-20(14-10-18)23(26)27-22-15-11-19(12-16-22)7-5-8-21(24)17-25/h5,7-10,13-14,19,22H,2-4,6,11-12,15-16H2,1H3/b7-5+,21-8+