(4-butyl-4-cyano-cyclohexyl) 4-butylbenzoate

Systemtic Name: (4-butyl-4-cyano-cyclohexyl) 4-butylbenzoate Openeye Name: (4-butyl-4-cyano-cyclohexyl) 4-butylbenzoate CAS Name: 4-butylbenzoic acid (4-butyl-4-cyanocyclohexyl) ester IUPAC Name: (4-butyl-4-cyanocyclohexyl) 4-butylbenzoate Traditional Name: 4-butylbenzoic acid (4-butyl-4-cyano-cyclohexyl) ester Formula: C22H31NO2 MolecularWeight: 341.48704

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)C(=O)OC2CCC(CC2)(CCCC)C#N

Isomeric SMILES

CCCCC1=CC=C(C=C1)C(=O)OC2CCC(CC2)(CCCC)C#N

InChI

InChI=1S/C22H31NO2/c1-3-5-7-18-8-10-19(11-9-18)21(24)25-20-12-15-22(17-23,16-13-20)14-6-4-2/h8-11,20H,3-7,12-16H2,1-2H3