(4-pentylphenyl) 4-[(E)-2-cyanoethenyl]cyclohexane-1-carboxylate

Systemtic Name: (4-pentylphenyl) 4-[(E)-2-cyanoethenyl]cyclohexane-1-carboxylate Openeye Name: (4-pentylphenyl) 4-[(E)-2-cyanovinyl]cyclohexanecarboxylate CAS Name: 4-[(E)-2-cyanoethenyl]-1-cyclohexanecarboxylic acid (4-pentylphenyl) ester IUPAC Name: (4-pentylphenyl) 4-[(E)-2-cyanoethenyl]cyclohexane-1-carboxylate Traditional Name: 4-[(E)-2-cyanovinyl]cyclohexanecarboxylic acid (4-amylphenyl) ester Formula: C21H27NO2 MolecularWeight: 325.44458

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=CC=C(C=C1)OC(=O)C2CCC(CC2)C=CC#N

Isomeric SMILES

CCCCCC1=CC=C(C=C1)OC(=O)C2CCC(CC2)/C=C/C#N

InChI

InChI=1S/C21H27NO2/c1-2-3-4-6-17-10-14-20(15-11-17)24-21(23)19-12-8-18(9-13-19)7-5-16-22/h5,7,10-11,14-15,18-19H,2-4,6,8-9,12-13H2,1H3/b7-5+