[4-[(E)-2-cyanoethenyl]cyclohexyl] 4-pentylbenzoate

Systemtic Name: [4-[(E)-2-cyanoethenyl]cyclohexyl] 4-pentylbenzoate Openeye Name: [4-[(E)-2-cyanovinyl]cyclohexyl] 4-pentylbenzoate CAS Name: 4-pentylbenzoic acid [4-[(E)-2-cyanoethenyl]cyclohexyl] ester IUPAC Name: [4-[(E)-2-cyanoethenyl]cyclohexyl] 4-pentylbenzoate Traditional Name: 4-amylbenzoic acid [4-[(E)-2-cyanovinyl]cyclohexyl] ester Formula: C21H27NO2 MolecularWeight: 325.44458

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=CC=C(C=C1)C(=O)OC2CCC(CC2)C=CC#N

Isomeric SMILES

CCCCCC1=CC=C(C=C1)C(=O)OC2CCC(CC2)/C=C/C#N

InChI

InChI=1S/C21H27NO2/c1-2-3-4-6-17-8-12-19(13-9-17)21(23)24-20-14-10-18(11-15-20)7-5-16-22/h5,7-9,12-13,18,20H,2-4,6,10-11,14-15H2,1H3/b7-5+