[2-fluoranyl-4-(5-undecylpyrimidin-2-yl)phenyl] 2-octyl-3-oxidanylidene-1,2-dihydroindene-5-carboxylate

Systemtic Name: [2-fluoranyl-4-(5-undecylpyrimidin-2-yl)phenyl] 2-octyl-3-oxidanylidene-1,2-dihydroindene-5-carboxylate Openeye Name: [2-fluoro-4-(5-undecylpyrimidin-2-yl)phenyl] 2-octyl-3-oxo-indane-5-carboxylate CAS Name: 2-octyl-3-oxo-1,2-dihydroindene-5-carboxylic acid [2-fluoro-4-(5-undecyl-2-pyrimidinyl)phenyl] ester IUPAC Name: [2-fluoro-4-(5-undecylpyrimidin-2-yl)phenyl] 2-octyl-3-oxo-1,2-dihydroindene-5-carboxylate Traditional Name: 3-keto-2-octyl-indane-5-carboxylic acid [2-fluoro-4-(5-undecylpyrimidin-2-yl)phenyl] ester Formula: C39H51FN2O3 MolecularWeight: 614.832243

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC1=CN=C(N=C1)C2=CC(=C(C=C2)OC(=O)C3=CC4=C(CC(C4=O)CCCCCCCC)C=C3)F

Isomeric SMILES

CCCCCCCCCCCC1=CN=C(N=C1)C2=CC(=C(C=C2)OC(=O)C3=CC4=C(CC(C4=O)CCCCCCCC)C=C3)F

InChI

InChI=1S/C39H51FN2O3/c1-3-5-7-9-11-12-13-14-16-18-29-27-41-38(42-28-29)32-22-23-36(35(40)26-32)45-39(44)33-21-20-30-24-31(37(43)34(30)25-33)19-17-15-10-8-6-4-2/h20-23,25-28,31H,3-19,24H2,1-2H3