[2-fluoranyl-4-(5-undecylpyridin-2-yl)phenyl] 5-ethylfuran-2-carboxylate

Systemtic Name: [2-fluoranyl-4-(5-undecylpyridin-2-yl)phenyl] 5-ethylfuran-2-carboxylate Openeye Name: [2-fluoro-4-(5-undecyl-2-pyridyl)phenyl] 5-ethylfuran-2-carboxylate CAS Name: 5-ethyl-2-furancarboxylic acid [2-fluoro-4-(5-undecyl-2-pyridinyl)phenyl] ester IUPAC Name: [2-fluoro-4-(5-undecylpyridin-2-yl)phenyl] 5-ethylfuran-2-carboxylate Traditional Name: 5-ethylfuran-2-carboxylic acid [2-fluoro-4-(5-undecyl-2-pyridyl)phenyl] ester Formula: C29H36FNO3 MolecularWeight: 465.599443

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC1=CN=C(C=C1)C2=CC(=C(C=C2)OC(=O)C3=CC=C(O3)CC)F

Isomeric SMILES

CCCCCCCCCCCC1=CN=C(C=C1)C2=CC(=C(C=C2)OC(=O)C3=CC=C(O3)CC)F

InChI

InChI=1S/C29H36FNO3/c1-3-5-6-7-8-9-10-11-12-13-22-14-17-26(31-21-22)23-15-18-27(25(30)20-23)34-29(32)28-19-16-24(4-2)33-28/h14-21H,3-13H2,1-2H3