(4-cyano-4-hexyl-cyclohexyl) 4-ethoxybenzoate

Systemtic Name: (4-cyano-4-hexyl-cyclohexyl) 4-ethoxybenzoate Openeye Name: (4-cyano-4-hexyl-cyclohexyl) 4-ethoxybenzoate CAS Name: 4-ethoxybenzoic acid (4-cyano-4-hexylcyclohexyl) ester IUPAC Name: (4-cyano-4-hexylcyclohexyl) 4-ethoxybenzoate Traditional Name: 4-ethoxybenzoic acid (4-cyano-4-hexyl-cyclohexyl) ester Formula: C22H31NO3 MolecularWeight: 357.48644

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H31NO3/c1-3-5-6-7-14-22(17-23)15-12-20(13-16-22)26-21(24)18-8-10-19(11-9-18)25-4-2/h8-11,20H,3-7,12-16H2,1-2H3