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

Systemtic Name: [4-[(1E,3E)-4-cyanobuta-1,3-dienyl]cyclohexyl] 4-hexylbenzoate Openeye Name: [4-[(1E,3E)-4-cyanobuta-1,3-dienyl]cyclohexyl] 4-hexylbenzoate CAS Name: 4-hexylbenzoic acid [4-[(1E,3E)-4-cyanobuta-1,3-dienyl]cyclohexyl] ester IUPAC Name: [4-[(1E,3E)-4-cyanobuta-1,3-dienyl]cyclohexyl] 4-hexylbenzoate Traditional Name: 4-hexylbenzoic acid [4-[(1E,3E)-4-cyanobuta-1,3-dienyl]cyclohexyl] ester Formula: C24H31NO2 MolecularWeight: 365.50844

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=CC=C(C=C1)C(=O)OC2CCC(CC2)C=CC=CC#N

Isomeric SMILES

CCCCCCC1=CC=C(C=C1)C(=O)OC2CCC(CC2)/C=C/C=C/C#N

InChI

InChI=1S/C24H31NO2/c1-2-3-4-6-9-20-11-15-22(16-12-20)24(26)27-23-17-13-21(14-18-23)10-7-5-8-19-25/h5,7-8,10-12,15-16,21,23H,2-4,6,9,13-14,17-18H2,1H3/b8-5+,10-7+