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

Systemtic Name: [4-[(1E,3E)-4-cyanobuta-1,3-dienyl]cyclohexyl] 4-ethylbenzoate Openeye Name: [4-[(1E,3E)-4-cyanobuta-1,3-dienyl]cyclohexyl] 4-ethylbenzoate CAS Name: 4-ethylbenzoic acid [4-[(1E,3E)-4-cyanobuta-1,3-dienyl]cyclohexyl] ester IUPAC Name: [4-[(1E,3E)-4-cyanobuta-1,3-dienyl]cyclohexyl] 4-ethylbenzoate Traditional Name: 4-ethylbenzoic acid [4-[(1E,3E)-4-cyanobuta-1,3-dienyl]cyclohexyl] ester Formula: C20H23NO2 MolecularWeight: 309.40212

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(=O)OC2CCC(CC2)C=CC=CC#N

Isomeric SMILES

CCC1=CC=C(C=C1)C(=O)OC2CCC(CC2)/C=C/C=C/C#N

InChI

InChI=1S/C20H23NO2/c1-2-16-7-11-18(12-8-16)20(22)23-19-13-9-17(10-14-19)6-4-3-5-15-21/h3-8,11-12,17,19H,2,9-10,13-14H2,1H3/b5-3+,6-4+