[4-[(3E,5E)-6-cyanohexa-3,5-dienyl]cyclohexyl] 4-ethylbenzoate

Systemtic Name: [4-[(3E,5E)-6-cyanohexa-3,5-dienyl]cyclohexyl] 4-ethylbenzoate Openeye Name: [4-[(3E,5E)-6-cyanohexa-3,5-dienyl]cyclohexyl] 4-ethylbenzoate CAS Name: 4-ethylbenzoic acid [4-[(3E,5E)-6-cyanohexa-3,5-dienyl]cyclohexyl] ester IUPAC Name: [4-[(3E,5E)-6-cyanohexa-3,5-dienyl]cyclohexyl] 4-ethylbenzoate Traditional Name: 4-ethylbenzoic acid [4-[(3E,5E)-6-cyanohexa-3,5-dienyl]cyclohexyl] ester Formula: C22H27NO2 MolecularWeight: 337.45528

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(=O)OC2CCC(CC2)CCC=CC=CC#N

Isomeric SMILES

CCC1=CC=C(C=C1)C(=O)OC2CCC(CC2)CC/C=C/C=C/C#N

InChI

InChI=1S/C22H27NO2/c1-2-18-9-13-20(14-10-18)22(24)25-21-15-11-19(12-16-21)8-6-4-3-5-7-17-23/h3-5,7,9-10,13-14,19,21H,2,6,8,11-12,15-16H2,1H3/b4-3+,7-5+