(4-cyano-4-hexyl-cyclohexyl) 4-propylbenzoate

Systemtic Name: (4-cyano-4-hexyl-cyclohexyl) 4-propylbenzoate Openeye Name: (4-cyano-4-hexyl-cyclohexyl) 4-propylbenzoate CAS Name: 4-propylbenzoic acid (4-cyano-4-hexylcyclohexyl) ester IUPAC Name: (4-cyano-4-hexylcyclohexyl) 4-propylbenzoate Traditional Name: 4-propylbenzoic acid (4-cyano-4-hexyl-cyclohexyl) ester Formula: C23H33NO2 MolecularWeight: 355.51362

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1(CCC(CC1)OC(=O)C2=CC=C(C=C2)CCC)C#N

Isomeric SMILES

CCCCCCC1(CCC(CC1)OC(=O)C2=CC=C(C=C2)CCC)C#N

InChI

InChI=1S/C23H33NO2/c1-3-5-6-7-15-23(18-24)16-13-21(14-17-23)26-22(25)20-11-9-19(8-4-2)10-12-20/h9-12,21H,3-8,13-17H2,1-2H3