(4-cyano-4-hexyl-cyclohexyl) 4-butoxybenzoate

Systemtic Name: (4-cyano-4-hexyl-cyclohexyl) 4-butoxybenzoate Openeye Name: (4-cyano-4-hexyl-cyclohexyl) 4-butoxybenzoate CAS Name: 4-butoxybenzoic acid (4-cyano-4-hexylcyclohexyl) ester IUPAC Name: (4-cyano-4-hexylcyclohexyl) 4-butoxybenzoate Traditional Name: 4-butoxybenzoic acid (4-cyano-4-hexyl-cyclohexyl) ester Formula: C24H35NO3 MolecularWeight: 385.5396

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H35NO3/c1-3-5-7-8-15-24(19-25)16-13-22(14-17-24)28-23(26)20-9-11-21(12-10-20)27-18-6-4-2/h9-12,22H,3-8,13-18H2,1-2H3