[4-[(E)-4-cyanobut-3-enyl]cyclohexyl] 4-hexylbenzoate

Systemtic Name: [4-[(E)-4-cyanobut-3-enyl]cyclohexyl] 4-hexylbenzoate Openeye Name: [4-[(E)-4-cyanobut-3-enyl]cyclohexyl] 4-hexylbenzoate CAS Name: 4-hexylbenzoic acid [4-[(E)-4-cyanobut-3-enyl]cyclohexyl] ester IUPAC Name: [4-[(E)-4-cyanobut-3-enyl]cyclohexyl] 4-hexylbenzoate Traditional Name: 4-hexylbenzoic acid [4-[(E)-4-cyanobut-3-enyl]cyclohexyl] ester Formula: C24H33NO2 MolecularWeight: 367.52432

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H33NO2/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/h5,8,11-12,15-16,21,23H,2-4,6-7,9-10,13-14,17-18H2,1H3/b8-5+