[4-[(1E,3E)-4-cyanobuta-1,3-dienyl]cyclohexyl] 4-(4-ethylphenyl)cyclohexane-1-carboxylate

Systemtic Name: [4-[(1E,3E)-4-cyanobuta-1,3-dienyl]cyclohexyl] 4-(4-ethylphenyl)cyclohexane-1-carboxylate Openeye Name: [4-[(1E,3E)-4-cyanobuta-1,3-dienyl]cyclohexyl] 4-(4-ethylphenyl)cyclohexanecarboxylate CAS Name: 4-(4-ethylphenyl)-1-cyclohexanecarboxylic acid [4-[(1E,3E)-4-cyanobuta-1,3-dienyl]cyclohexyl] ester IUPAC Name: [4-[(1E,3E)-4-cyanobuta-1,3-dienyl]cyclohexyl] 4-(4-ethylphenyl)cyclohexane-1-carboxylate Traditional Name: 4-(4-ethylphenyl)cyclohexanecarboxylic acid [4-[(1E,3E)-4-cyanobuta-1,3-dienyl]cyclohexyl] ester Formula: C26H33NO2 MolecularWeight: 391.54572

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C2CCC(CC2)C(=O)OC3CCC(CC3)C=CC=CC#N

Isomeric SMILES

CCC1=CC=C(C=C1)C2CCC(CC2)C(=O)OC3CCC(CC3)/C=C/C=C/C#N

InChI

InChI=1S/C26H33NO2/c1-2-20-7-11-22(12-8-20)23-13-15-24(16-14-23)26(28)29-25-17-9-21(10-18-25)6-4-3-5-19-27/h3-8,11-12,21,23-25H,2,9-10,13-18H2,1H3/b5-3+,6-4+