[4-[(3E,5E)-6-cyanohexa-3,5-dienyl]cyclohexyl] 4-propylbenzoate

Systemtic Name: [4-[(3E,5E)-6-cyanohexa-3,5-dienyl]cyclohexyl] 4-propylbenzoate Openeye Name: [4-[(3E,5E)-6-cyanohexa-3,5-dienyl]cyclohexyl] 4-propylbenzoate CAS Name: 4-propylbenzoic acid [4-[(3E,5E)-6-cyanohexa-3,5-dienyl]cyclohexyl] ester IUPAC Name: [4-[(3E,5E)-6-cyanohexa-3,5-dienyl]cyclohexyl] 4-propylbenzoate Traditional Name: 4-propylbenzoic acid [4-[(3E,5E)-6-cyanohexa-3,5-dienyl]cyclohexyl] ester Formula: C23H29NO2 MolecularWeight: 351.48186

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC=C(C=C1)C(=O)OC2CCC(CC2)CCC=CC=CC#N

Isomeric SMILES

CCCC1=CC=C(C=C1)C(=O)OC2CCC(CC2)CC/C=C/C=C/C#N

InChI

InChI=1S/C23H29NO2/c1-2-8-19-10-14-21(15-11-19)23(25)26-22-16-12-20(13-17-22)9-6-4-3-5-7-18-24/h3-5,7,10-11,14-15,20,22H,2,6,8-9,12-13,16-17H2,1H3/b4-3+,7-5+