[2-(6-octoxypyridin-3-yl)pyrimidin-5-yl] 4-pentylcyclohexane-1-carboxylate

Systemtic Name: [2-(6-octoxypyridin-3-yl)pyrimidin-5-yl] 4-pentylcyclohexane-1-carboxylate Openeye Name: [2-(6-octoxy-3-pyridyl)pyrimidin-5-yl] 4-pentylcyclohexanecarboxylate CAS Name: 4-pentyl-1-cyclohexanecarboxylic acid [2-(6-octoxy-3-pyridinyl)-5-pyrimidinyl] ester IUPAC Name: [2-(6-octoxypyridin-3-yl)pyrimidin-5-yl] 4-pentylcyclohexane-1-carboxylate Traditional Name: 4-amylcyclohexanecarboxylic acid [2-(6-octoxy-3-pyridyl)pyrimidin-5-yl] ester Formula: C29H43N3O3 MolecularWeight: 481.67002

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=NC=C(C=C1)C2=NC=C(C=N2)OC(=O)C3CCC(CC3)CCCCC

Isomeric SMILES

CCCCCCCCOC1=NC=C(C=C1)C2=NC=C(C=N2)OC(=O)C3CCC(CC3)CCCCC

InChI

InChI=1S/C29H43N3O3/c1-3-5-7-8-9-11-19-34-27-18-17-25(20-30-27)28-31-21-26(22-32-28)35-29(33)24-15-13-23(14-16-24)12-10-6-4-2/h17-18,20-24H,3-16,19H2,1-2H3