phenyl 4-hexyl-4-(5-nonylpyridin-2-yl)cyclohexane-1-carboxylate

Systemtic Name: phenyl 4-hexyl-4-(5-nonylpyridin-2-yl)cyclohexane-1-carboxylate Openeye Name: phenyl 4-hexyl-4-(5-nonyl-2-pyridyl)cyclohexanecarboxylate CAS Name: 4-hexyl-4-(5-nonyl-2-pyridinyl)-1-cyclohexanecarboxylic acid phenyl ester IUPAC Name: phenyl 4-hexyl-4-(5-nonylpyridin-2-yl)cyclohexane-1-carboxylate Traditional Name: 4-hexyl-4-(5-nonyl-2-pyridyl)cyclohexanecarboxylic acid phenyl ester Formula: C33H49NO2 MolecularWeight: 491.74766

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC1=CN=C(C=C1)C2(CCC(CC2)C(=O)OC3=CC=CC=C3)CCCCCC

Isomeric SMILES

CCCCCCCCCC1=CN=C(C=C1)C2(CCC(CC2)C(=O)OC3=CC=CC=C3)CCCCCC

InChI

InChI=1S/C33H49NO2/c1-3-5-7-9-10-11-13-17-28-20-21-31(34-27-28)33(24-16-8-6-4-2)25-22-29(23-26-33)32(35)36-30-18-14-12-15-19-30/h12,14-15,18-21,27,29H,3-11,13,16-17,22-26H2,1-2H3