(4-butyl-4-cyano-cyclohexyl) 4-butoxybenzoate

Systemtic Name: (4-butyl-4-cyano-cyclohexyl) 4-butoxybenzoate Openeye Name: (4-butyl-4-cyano-cyclohexyl) 4-butoxybenzoate CAS Name: 4-butoxybenzoic acid (4-butyl-4-cyanocyclohexyl) ester IUPAC Name: (4-butyl-4-cyanocyclohexyl) 4-butoxybenzoate Traditional Name: 4-butoxybenzoic acid (4-butyl-4-cyano-cyclohexyl) ester Formula: C22H31NO3 MolecularWeight: 357.48644

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1(CCC(CC1)OC(=O)C2=CC=C(C=C2)OCCCC)C#N

Isomeric SMILES

CCCCC1(CCC(CC1)OC(=O)C2=CC=C(C=C2)OCCCC)C#N

InChI

InChI=1S/C22H31NO3/c1-3-5-13-22(17-23)14-11-20(12-15-22)26-21(24)18-7-9-19(10-8-18)25-16-6-4-2/h7-10,20H,3-6,11-16H2,1-2H3