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

Systemtic Name: (4-pentylphenyl) 4-[(E)-4-cyanobut-3-enyl]cyclohexane-1-carboxylate Openeye Name: (4-pentylphenyl) 4-[(E)-4-cyanobut-3-enyl]cyclohexanecarboxylate CAS Name: 4-[(E)-4-cyanobut-3-enyl]-1-cyclohexanecarboxylic acid (4-pentylphenyl) ester IUPAC Name: (4-pentylphenyl) 4-[(E)-4-cyanobut-3-enyl]cyclohexane-1-carboxylate Traditional Name: 4-[(E)-4-cyanobut-3-enyl]cyclohexanecarboxylic acid (4-amylphenyl) ester Formula: C23H31NO2 MolecularWeight: 353.49774

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H31NO2/c1-2-3-5-8-20-12-16-22(17-13-20)26-23(25)21-14-10-19(11-15-21)9-6-4-7-18-24/h4,7,12-13,16-17,19,21H,2-3,5-6,8-11,14-15H2,1H3/b7-4+