[4-[(1E,3E)-4-cyanobuta-1,3-dienyl]cyclohexyl] 4-propylcyclohexane-1-carboxylate

Systemtic Name: [4-[(1E,3E)-4-cyanobuta-1,3-dienyl]cyclohexyl] 4-propylcyclohexane-1-carboxylate Openeye Name: [4-[(1E,3E)-4-cyanobuta-1,3-dienyl]cyclohexyl] 4-propylcyclohexanecarboxylate CAS Name: 4-propyl-1-cyclohexanecarboxylic acid [4-[(1E,3E)-4-cyanobuta-1,3-dienyl]cyclohexyl] ester IUPAC Name: [4-[(1E,3E)-4-cyanobuta-1,3-dienyl]cyclohexyl] 4-propylcyclohexane-1-carboxylate Traditional Name: 4-propylcyclohexanecarboxylic acid [4-[(1E,3E)-4-cyanobuta-1,3-dienyl]cyclohexyl] ester Formula: C21H31NO2 MolecularWeight: 329.47634

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1CCC(CC1)C(=O)OC2CCC(CC2)C=CC=CC#N

Isomeric SMILES

CCCC1CCC(CC1)C(=O)OC2CCC(CC2)/C=C/C=C/C#N

InChI

InChI=1S/C21H31NO2/c1-2-6-17-8-12-19(13-9-17)21(23)24-20-14-10-18(11-15-20)7-4-3-5-16-22/h3-5,7,17-20H,2,6,8-15H2,1H3/b5-3+,7-4+