[4-[(3E,5E)-6-cyano-6-fluoranyl-hexa-3,5-dienyl]cyclohexyl] 4-propylbenzoate

Systemtic Name: [4-[(3E,5E)-6-cyano-6-fluoranyl-hexa-3,5-dienyl]cyclohexyl] 4-propylbenzoate Openeye Name: [4-[(3E,5E)-6-cyano-6-fluoro-hexa-3,5-dienyl]cyclohexyl] 4-propylbenzoate CAS Name: 4-propylbenzoic acid [4-[(3E,5E)-6-cyano-6-fluorohexa-3,5-dienyl]cyclohexyl] ester IUPAC Name: [4-[(3E,5E)-6-cyano-6-fluorohexa-3,5-dienyl]cyclohexyl] 4-propylbenzoate Traditional Name: 4-propylbenzoic acid [4-[(3E,5E)-6-cyano-6-fluoro-hexa-3,5-dienyl]cyclohexyl] ester Formula: C23H28FNO2 MolecularWeight: 369.472323

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC=C(C=C1)C(=O)OC2CCC(CC2)CCC=CC=C(C#N)F

Isomeric SMILES

CCCC1=CC=C(C=C1)C(=O)OC2CCC(CC2)CC/C=C/C=C(\C#N)/F

InChI

InChI=1S/C23H28FNO2/c1-2-6-18-9-13-20(14-10-18)23(26)27-22-15-11-19(12-16-22)7-4-3-5-8-21(24)17-25/h3,5,8-10,13-14,19,22H,2,4,6-7,11-12,15-16H2,1H3/b5-3+,21-8+