[4-[(E)-4-cyanobut-3-enyl]cyclohexyl] 4-butylbenzoate

Systemtic Name: [4-[(E)-4-cyanobut-3-enyl]cyclohexyl] 4-butylbenzoate Openeye Name: [4-[(E)-4-cyanobut-3-enyl]cyclohexyl] 4-butylbenzoate CAS Name: 4-butylbenzoic acid [4-[(E)-4-cyanobut-3-enyl]cyclohexyl] ester IUPAC Name: [4-[(E)-4-cyanobut-3-enyl]cyclohexyl] 4-butylbenzoate Traditional Name: 4-butylbenzoic acid [4-[(E)-4-cyanobut-3-enyl]cyclohexyl] ester Formula: C22H29NO2 MolecularWeight: 339.47116

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)C(=O)OC2CCC(CC2)CCC=CC#N

Isomeric SMILES

CCCCC1=CC=C(C=C1)C(=O)OC2CCC(CC2)CC/C=C/C#N

InChI

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