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

Systemtic Name: [4-[(1E,3E)-4-cyanobuta-1,3-dienyl]cyclohexyl] 4-butylbenzoate Openeye Name: [4-[(1E,3E)-4-cyanobuta-1,3-dienyl]cyclohexyl] 4-butylbenzoate CAS Name: 4-butylbenzoic acid [4-[(1E,3E)-4-cyanobuta-1,3-dienyl]cyclohexyl] ester IUPAC Name: [4-[(1E,3E)-4-cyanobuta-1,3-dienyl]cyclohexyl] 4-butylbenzoate Traditional Name: 4-butylbenzoic acid [4-[(1E,3E)-4-cyanobuta-1,3-dienyl]cyclohexyl] ester Formula: C22H27NO2 MolecularWeight: 337.45528

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)C(=O)OC2CCC(CC2)C=CC=CC#N

Isomeric SMILES

CCCCC1=CC=C(C=C1)C(=O)OC2CCC(CC2)/C=C/C=C/C#N

InChI

InChI=1S/C22H27NO2/c1-2-3-7-18-9-13-20(14-10-18)22(24)25-21-15-11-19(12-16-21)8-5-4-6-17-23/h4-6,8-10,13-14,19,21H,2-3,7,11-12,15-16H2,1H3/b6-4+,8-5+