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

Systemtic Name: (4-heptylphenyl) 4-[(E)-2-cyanoethenyl]cyclohexane-1-carboxylate Openeye Name: (4-heptylphenyl) 4-[(E)-2-cyanovinyl]cyclohexanecarboxylate CAS Name: 4-[(E)-2-cyanoethenyl]-1-cyclohexanecarboxylic acid (4-heptylphenyl) ester IUPAC Name: (4-heptylphenyl) 4-[(E)-2-cyanoethenyl]cyclohexane-1-carboxylate Traditional Name: 4-[(E)-2-cyanovinyl]cyclohexanecarboxylic acid (4-heptylphenyl) ester Formula: C23H31NO2 MolecularWeight: 353.49774

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1=CC=C(C=C1)OC(=O)C2CCC(CC2)C=CC#N

Isomeric SMILES

CCCCCCCC1=CC=C(C=C1)OC(=O)C2CCC(CC2)/C=C/C#N

InChI

InChI=1S/C23H31NO2/c1-2-3-4-5-6-8-19-12-16-22(17-13-19)26-23(25)21-14-10-20(11-15-21)9-7-18-24/h7,9,12-13,16-17,20-21H,2-6,8,10-11,14-15H2,1H3/b9-7+