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

Systemtic Name: [4-[(1E,3E)-4-cyanobuta-1,3-dienyl]cyclohexyl] 4-propylbenzoate Openeye Name: [4-[(1E,3E)-4-cyanobuta-1,3-dienyl]cyclohexyl] 4-propylbenzoate CAS Name: 4-propylbenzoic acid [4-[(1E,3E)-4-cyanobuta-1,3-dienyl]cyclohexyl] ester IUPAC Name: [4-[(1E,3E)-4-cyanobuta-1,3-dienyl]cyclohexyl] 4-propylbenzoate Traditional Name: 4-propylbenzoic acid [4-[(1E,3E)-4-cyanobuta-1,3-dienyl]cyclohexyl] ester Formula: C21H25NO2 MolecularWeight: 323.4287

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25NO2/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/h3-5,7-9,12-13,18,20H,2,6,10-11,14-15H2,1H3/b5-3+,7-4+