(4-cyano-4-hexyl-cyclohexyl) 4-butylbenzoate

Systemtic Name: (4-cyano-4-hexyl-cyclohexyl) 4-butylbenzoate Openeye Name: (4-cyano-4-hexyl-cyclohexyl) 4-butylbenzoate CAS Name: 4-butylbenzoic acid (4-cyano-4-hexylcyclohexyl) ester IUPAC Name: (4-cyano-4-hexylcyclohexyl) 4-butylbenzoate Traditional Name: 4-butylbenzoic acid (4-cyano-4-hexyl-cyclohexyl) ester Formula: C24H35NO2 MolecularWeight: 369.5402

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H35NO2/c1-3-5-7-8-16-24(19-25)17-14-22(15-18-24)27-23(26)21-12-10-20(11-13-21)9-6-4-2/h10-13,22H,3-9,14-18H2,1-2H3