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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1=CN=C(C=C1)C2(CCC(CC2)C(=O)OC3=CC=CC=C3)CCCCCC

Isomeric SMILES

CCCCCCCC1=CN=C(C=C1)C2(CCC(CC2)C(=O)OC3=CC=CC=C3)CCCCCC

InChI

InChI=1S/C31H45NO2/c1-3-5-7-9-11-15-26-18-19-29(32-25-26)31(22-14-8-6-4-2)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