(4-cyano-4-propyl-cyclohexyl) 4-pentylbenzoate

Systemtic Name: (4-cyano-4-propyl-cyclohexyl) 4-pentylbenzoate Openeye Name: (4-cyano-4-propyl-cyclohexyl) 4-pentylbenzoate CAS Name: 4-pentylbenzoic acid (4-cyano-4-propylcyclohexyl) ester IUPAC Name: (4-cyano-4-propylcyclohexyl) 4-pentylbenzoate Traditional Name: 4-amylbenzoic acid (4-cyano-4-propyl-cyclohexyl) ester Formula: C22H31NO2 MolecularWeight: 341.48704

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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