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

Systemtic Name: (4-butylphenyl) 4-[(E)-2-cyanoethenyl]cyclohexane-1-carboxylate Openeye Name: (4-butylphenyl) 4-[(E)-2-cyanovinyl]cyclohexanecarboxylate CAS Name: 4-[(E)-2-cyanoethenyl]-1-cyclohexanecarboxylic acid (4-butylphenyl) ester IUPAC Name: (4-butylphenyl) 4-[(E)-2-cyanoethenyl]cyclohexane-1-carboxylate Traditional Name: 4-[(E)-2-cyanovinyl]cyclohexanecarboxylic acid (4-butylphenyl) ester Formula: C20H25NO2 MolecularWeight: 311.418

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)OC(=O)C2CCC(CC2)C=CC#N

Isomeric SMILES

CCCCC1=CC=C(C=C1)OC(=O)C2CCC(CC2)/C=C/C#N

InChI

InChI=1S/C20H25NO2/c1-2-3-5-16-9-13-19(14-10-16)23-20(22)18-11-7-17(8-12-18)6-4-15-21/h4,6,9-10,13-14,17-18H,2-3,5,7-8,11-12H2,1H3/b6-4+