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

Systemtic Name: (4-ethylphenyl) 4-[(1E,3E)-4-cyanobuta-1,3-dienyl]cyclohexane-1-carboxylate Openeye Name: (4-ethylphenyl) 4-[(1E,3E)-4-cyanobuta-1,3-dienyl]cyclohexanecarboxylate CAS Name: 4-[(1E,3E)-4-cyanobuta-1,3-dienyl]-1-cyclohexanecarboxylic acid (4-ethylphenyl) ester IUPAC Name: (4-ethylphenyl) 4-[(1E,3E)-4-cyanobuta-1,3-dienyl]cyclohexane-1-carboxylate Traditional Name: 4-[(1E,3E)-4-cyanobuta-1,3-dienyl]cyclohexanecarboxylic acid (4-ethylphenyl) ester Formula: C20H23NO2 MolecularWeight: 309.40212

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H23NO2/c1-2-16-9-13-19(14-10-16)23-20(22)18-11-7-17(8-12-18)6-4-3-5-15-21/h3-6,9-10,13-14,17-18H,2,7-8,11-12H2,1H3/b5-3+,6-4+