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

Systemtic Name: phenyl 4-heptyl-4-(5-hexylpyridin-2-yl)cyclohexane-1-carboxylate Openeye Name: phenyl 4-heptyl-4-(5-hexyl-2-pyridyl)cyclohexanecarboxylate CAS Name: 4-heptyl-4-(5-hexyl-2-pyridinyl)-1-cyclohexanecarboxylic acid phenyl ester IUPAC Name: phenyl 4-heptyl-4-(5-hexylpyridin-2-yl)cyclohexane-1-carboxylate Traditional Name: 4-heptyl-4-(5-hexyl-2-pyridyl)cyclohexanecarboxylic acid phenyl ester Formula: C31H45NO2 MolecularWeight: 463.6945

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1(CCC(CC1)C(=O)OC2=CC=CC=C2)C3=NC=C(C=C3)CCCCCC

Isomeric SMILES

CCCCCCCC1(CCC(CC1)C(=O)OC2=CC=CC=C2)C3=NC=C(C=C3)CCCCCC

InChI

InChI=1S/C31H45NO2/c1-3-5-7-9-14-22-31(29-19-18-26(25-32-29)15-11-8-6-4-2)23-20-27(21-24-31)30(33)34-28-16-12-10-13-17-28/h10,12-13,16-19,25,27H,3-9,11,14-15,20-24H2,1-2H3