(5-ethoxy-4-phenyl-pyrimidin-2-yl) 6-methyloctanoate

Systemtic Name: (5-ethoxy-4-phenyl-pyrimidin-2-yl) 6-methyloctanoate Openeye Name: (5-ethoxy-4-phenyl-pyrimidin-2-yl) 6-methyloctanoate CAS Name: 6-methyloctanoic acid (5-ethoxy-4-phenyl-2-pyrimidinyl) ester IUPAC Name: (5-ethoxy-4-phenylpyrimidin-2-yl) 6-methyloctanoate Traditional Name: 6-methylcaprylic acid (5-ethoxy-4-phenyl-pyrimidin-2-yl) ester Formula: C21H28N2O3 MolecularWeight: 356.45862

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)CCCCC(=O)OC1=NC=C(C(=N1)C2=CC=CC=C2)OCC

Isomeric SMILES

CCC(C)CCCCC(=O)OC1=NC=C(C(=N1)C2=CC=CC=C2)OCC

InChI

InChI=1S/C21H28N2O3/c1-4-16(3)11-9-10-14-19(24)26-21-22-15-18(25-5-2)20(23-21)17-12-7-6-8-13-17/h6-8,12-13,15-16H,4-5,9-11,14H2,1-3H3