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

Systemtic Name: (4-propylphenyl) 4-[(E)-4-cyanobut-3-enyl]cyclohexane-1-carboxylate Openeye Name: (4-propylphenyl) 4-[(E)-4-cyanobut-3-enyl]cyclohexanecarboxylate CAS Name: 4-[(E)-4-cyanobut-3-enyl]-1-cyclohexanecarboxylic acid (4-propylphenyl) ester IUPAC Name: (4-propylphenyl) 4-[(E)-4-cyanobut-3-enyl]cyclohexane-1-carboxylate Traditional Name: 4-[(E)-4-cyanobut-3-enyl]cyclohexanecarboxylic acid (4-propylphenyl) ester Formula: C21H27NO2 MolecularWeight: 325.44458

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC=C(C=C1)OC(=O)C2CCC(CC2)CCC=CC#N

Isomeric SMILES

CCCC1=CC=C(C=C1)OC(=O)C2CCC(CC2)CC/C=C/C#N

InChI

InChI=1S/C21H27NO2/c1-2-6-17-10-14-20(15-11-17)24-21(23)19-12-8-18(9-13-19)7-4-3-5-16-22/h3,5,10-11,14-15,18-19H,2,4,6-9,12-13H2,1H3/b5-3+