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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=CC=CC=C1C2=NC=C(C(=N2)F)OC(=O)C3CCC(CC3)CCCCC

Isomeric SMILES

CCCCCCCCOC1=CC=CC=C1C2=NC=C(C(=N2)F)OC(=O)C3CCC(CC3)CCCCC

InChI

InChI=1S/C30H43FN2O3/c1-3-5-7-8-9-13-21-35-26-16-12-11-15-25(26)29-32-22-27(28(31)33-29)36-30(34)24-19-17-23(18-20-24)14-10-6-4-2/h11-12,15-16,22-24H,3-10,13-14,17-21H2,1-2H3