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

Systemtic Name: (4-propylphenyl) 4-[(1E,3E)-4-cyanobuta-1,3-dienyl]cyclohexane-1-carboxylate Openeye Name: (4-propylphenyl) 4-[(1E,3E)-4-cyanobuta-1,3-dienyl]cyclohexanecarboxylate CAS Name: 4-[(1E,3E)-4-cyanobuta-1,3-dienyl]-1-cyclohexanecarboxylic acid (4-propylphenyl) ester IUPAC Name: (4-propylphenyl) 4-[(1E,3E)-4-cyanobuta-1,3-dienyl]cyclohexane-1-carboxylate Traditional Name: 4-[(1E,3E)-4-cyanobuta-1,3-dienyl]cyclohexanecarboxylic acid (4-propylphenyl) ester Formula: C21H25NO2 MolecularWeight: 323.4287

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC=C(C=C1)OC(=O)C2CCC(CC2)C=CC=CC#N

Isomeric SMILES

CCCC1=CC=C(C=C1)OC(=O)C2CCC(CC2)/C=C/C=C/C#N

InChI

InChI=1S/C21H25NO2/c1-2-6-17-10-14-20(15-11-17)24-21(23)19-12-8-18(9-13-19)7-4-3-5-16-22/h3-5,7,10-11,14-15,18-19H,2,6,8-9,12-13H2,1H3/b5-3+,7-4+