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

Systemtic Name: [4-(5-undecylpyrimidin-2-yl)phenyl] 5-ethylfuran-2-carboxylate Openeye Name: [4-(5-undecylpyrimidin-2-yl)phenyl] 5-ethylfuran-2-carboxylate CAS Name: 5-ethyl-2-furancarboxylic acid [4-(5-undecyl-2-pyrimidinyl)phenyl] ester IUPAC Name: [4-(5-undecylpyrimidin-2-yl)phenyl] 5-ethylfuran-2-carboxylate Traditional Name: 5-ethylfuran-2-carboxylic acid [4-(5-undecylpyrimidin-2-yl)phenyl] ester Formula: C28H36N2O3 MolecularWeight: 448.59704

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H36N2O3/c1-3-5-6-7-8-9-10-11-12-13-22-20-29-27(30-21-22)23-14-16-25(17-15-23)33-28(31)26-19-18-24(4-2)32-26/h14-21H,3-13H2,1-2H3