phenyl 4-butyl-4-(5-hexylpyridin-2-yl)cyclohexane-1-carboxylate

Systemtic Name: phenyl 4-butyl-4-(5-hexylpyridin-2-yl)cyclohexane-1-carboxylate Openeye Name: phenyl 4-butyl-4-(5-hexyl-2-pyridyl)cyclohexanecarboxylate CAS Name: 4-butyl-4-(5-hexyl-2-pyridinyl)-1-cyclohexanecarboxylic acid phenyl ester IUPAC Name: phenyl 4-butyl-4-(5-hexylpyridin-2-yl)cyclohexane-1-carboxylate Traditional Name: 4-butyl-4-(5-hexyl-2-pyridyl)cyclohexanecarboxylic acid phenyl ester Formula: C28H39NO2 MolecularWeight: 421.61476

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=CN=C(C=C1)C2(CCC(CC2)C(=O)OC3=CC=CC=C3)CCCC

Isomeric SMILES

CCCCCCC1=CN=C(C=C1)C2(CCC(CC2)C(=O)OC3=CC=CC=C3)CCCC

InChI

InChI=1S/C28H39NO2/c1-3-5-7-9-12-23-15-16-26(29-22-23)28(19-6-4-2)20-17-24(18-21-28)27(30)31-25-13-10-8-11-14-25/h8,10-11,13-16,22,24H,3-7,9,12,17-21H2,1-2H3