[4-(4-fluoranyl-5-octoxy-pyrimidin-2-yl)phenyl] 4-pentylcyclohexane-1-carboxylate

Systemtic Name: [4-(4-fluoranyl-5-octoxy-pyrimidin-2-yl)phenyl] 4-pentylcyclohexane-1-carboxylate Openeye Name: [4-(4-fluoro-5-octoxy-pyrimidin-2-yl)phenyl] 4-pentylcyclohexanecarboxylate CAS Name: 4-pentyl-1-cyclohexanecarboxylic acid [4-(4-fluoro-5-octoxy-2-pyrimidinyl)phenyl] ester IUPAC Name: [4-(4-fluoro-5-octoxypyrimidin-2-yl)phenyl] 4-pentylcyclohexane-1-carboxylate Traditional Name: 4-amylcyclohexanecarboxylic acid [4-(4-fluoro-5-octoxy-pyrimidin-2-yl)phenyl] ester Formula: C30H43FN2O3 MolecularWeight: 498.672423

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=CN=C(N=C1F)C2=CC=C(C=C2)OC(=O)C3CCC(CC3)CCCCC

Isomeric SMILES

CCCCCCCCOC1=CN=C(N=C1F)C2=CC=C(C=C2)OC(=O)C3CCC(CC3)CCCCC

InChI

InChI=1S/C30H43FN2O3/c1-3-5-7-8-9-11-21-35-27-22-32-29(33-28(27)31)24-17-19-26(20-18-24)36-30(34)25-15-13-23(14-16-25)12-10-6-4-2/h17-20,22-23,25H,3-16,21H2,1-2H3