(4-heptylphenyl) 4-[(E)-4-cyanobut-3-enyl]cyclohexane-1-carboxylate

Systemtic Name: (4-heptylphenyl) 4-[(E)-4-cyanobut-3-enyl]cyclohexane-1-carboxylate Openeye Name: (4-heptylphenyl) 4-[(E)-4-cyanobut-3-enyl]cyclohexanecarboxylate CAS Name: 4-[(E)-4-cyanobut-3-enyl]-1-cyclohexanecarboxylic acid (4-heptylphenyl) ester IUPAC Name: (4-heptylphenyl) 4-[(E)-4-cyanobut-3-enyl]cyclohexane-1-carboxylate Traditional Name: 4-[(E)-4-cyanobut-3-enyl]cyclohexanecarboxylic acid (4-heptylphenyl) ester Formula: C25H35NO2 MolecularWeight: 381.5509

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H35NO2/c1-2-3-4-5-7-10-22-14-18-24(19-15-22)28-25(27)23-16-12-21(13-17-23)11-8-6-9-20-26/h6,9,14-15,18-19,21,23H,2-5,7-8,10-13,16-17H2,1H3/b9-6+