(5-octoxy-4-phenyl-pyrimidin-2-yl) 3-methylpentanoate

Systemtic Name: (5-octoxy-4-phenyl-pyrimidin-2-yl) 3-methylpentanoate Openeye Name: (5-octoxy-4-phenyl-pyrimidin-2-yl) 3-methylpentanoate CAS Name: 3-methylpentanoic acid (5-octoxy-4-phenyl-2-pyrimidinyl) ester IUPAC Name: (5-octoxy-4-phenylpyrimidin-2-yl) 3-methylpentanoate Traditional Name: 3-methylvaleric acid (5-octoxy-4-phenyl-pyrimidin-2-yl) ester Formula: C24H34N2O3 MolecularWeight: 398.53836

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=CN=C(N=C1C2=CC=CC=C2)OC(=O)CC(C)CC

Isomeric SMILES

CCCCCCCCOC1=CN=C(N=C1C2=CC=CC=C2)OC(=O)CC(C)CC

InChI

InChI=1S/C24H34N2O3/c1-4-6-7-8-9-13-16-28-21-18-25-24(29-22(27)17-19(3)5-2)26-23(21)20-14-11-10-12-15-20/h10-12,14-15,18-19H,4-9,13,16-17H2,1-3H3