[4-[(E)-2-cyanoethenyl]cyclohexyl] 4-hexylbenzoate

Systemtic Name: [4-[(E)-2-cyanoethenyl]cyclohexyl] 4-hexylbenzoate Openeye Name: [4-[(E)-2-cyanovinyl]cyclohexyl] 4-hexylbenzoate CAS Name: 4-hexylbenzoic acid [4-[(E)-2-cyanoethenyl]cyclohexyl] ester IUPAC Name: [4-[(E)-2-cyanoethenyl]cyclohexyl] 4-hexylbenzoate Traditional Name: 4-hexylbenzoic acid [4-[(E)-2-cyanovinyl]cyclohexyl] ester Formula: C22H29NO2 MolecularWeight: 339.47116

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H29NO2/c1-2-3-4-5-7-18-9-13-20(14-10-18)22(24)25-21-15-11-19(12-16-21)8-6-17-23/h6,8-10,13-14,19,21H,2-5,7,11-12,15-16H2,1H3/b8-6+