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

Systemtic Name: (4-butylphenyl) 4-[(E)-4-cyanobut-3-enyl]cyclohexane-1-carboxylate Openeye Name: (4-butylphenyl) 4-[(E)-4-cyanobut-3-enyl]cyclohexanecarboxylate CAS Name: 4-[(E)-4-cyanobut-3-enyl]-1-cyclohexanecarboxylic acid (4-butylphenyl) ester IUPAC Name: (4-butylphenyl) 4-[(E)-4-cyanobut-3-enyl]cyclohexane-1-carboxylate Traditional Name: 4-[(E)-4-cyanobut-3-enyl]cyclohexanecarboxylic acid (4-butylphenyl) ester Formula: C22H29NO2 MolecularWeight: 339.47116

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H29NO2/c1-2-3-7-18-11-15-21(16-12-18)25-22(24)20-13-9-19(10-14-20)8-5-4-6-17-23/h4,6,11-12,15-16,19-20H,2-3,5,7-10,13-14H2,1H3/b6-4+