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

Systemtic Name: [4-(2-undecylpyrimidin-5-yl)phenyl] 5-pentylfuran-2-carboxylate Openeye Name: [4-(2-undecylpyrimidin-5-yl)phenyl] 5-pentylfuran-2-carboxylate CAS Name: 5-pentyl-2-furancarboxylic acid [4-(2-undecyl-5-pyrimidinyl)phenyl] ester IUPAC Name: [4-(2-undecylpyrimidin-5-yl)phenyl] 5-pentylfuran-2-carboxylate Traditional Name: 5-amylfuran-2-carboxylic acid [4-(2-undecylpyrimidin-5-yl)phenyl] ester Formula: C31H42N2O3 MolecularWeight: 490.67678

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC1=NC=C(C=N1)C2=CC=C(C=C2)OC(=O)C3=CC=C(O3)CCCCC

Isomeric SMILES

CCCCCCCCCCCC1=NC=C(C=N1)C2=CC=C(C=C2)OC(=O)C3=CC=C(O3)CCCCC

InChI

InChI=1S/C31H42N2O3/c1-3-5-7-8-9-10-11-12-14-16-30-32-23-26(24-33-30)25-17-19-28(20-18-25)36-31(34)29-22-21-27(35-29)15-13-6-4-2/h17-24H,3-16H2,1-2H3