[4-(5-octylpyrimidin-2-yl)phenyl] 4-fluoranyl-2-(4-pentylcyclohexyl)pyrimidine-5-carboxylate

Systemtic Name: [4-(5-octylpyrimidin-2-yl)phenyl] 4-fluoranyl-2-(4-pentylcyclohexyl)pyrimidine-5-carboxylate Openeye Name: [4-(5-octylpyrimidin-2-yl)phenyl] 4-fluoro-2-(4-pentylcyclohexyl)pyrimidine-5-carboxylate CAS Name: 4-fluoro-2-(4-pentylcyclohexyl)-5-pyrimidinecarboxylic acid [4-(5-octyl-2-pyrimidinyl)phenyl] ester IUPAC Name: [4-(5-octylpyrimidin-2-yl)phenyl] 4-fluoro-2-(4-pentylcyclohexyl)pyrimidine-5-carboxylate Traditional Name: 2-(4-amylcyclohexyl)-4-fluoro-pyrimidine-5-carboxylic acid [4-(5-octylpyrimidin-2-yl)phenyl] ester Formula: C34H45FN4O2 MolecularWeight: 560.745103

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)OC(=O)C3=CN=C(N=C3F)C4CCC(CC4)CCCCC

Isomeric SMILES

CCCCCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)OC(=O)C3=CN=C(N=C3F)C4CCC(CC4)CCCCC

InChI

InChI=1S/C34H45FN4O2/c1-3-5-7-8-9-11-13-26-22-36-32(37-23-26)27-18-20-29(21-19-27)41-34(40)30-24-38-33(39-31(30)35)28-16-14-25(15-17-28)12-10-6-4-2/h18-25,28H,3-17H2,1-2H3