(5-octoxy-4-phenyl-pyrimidin-2-yl) 2-methylbutanoate

Systemtic Name: (5-octoxy-4-phenyl-pyrimidin-2-yl) 2-methylbutanoate Openeye Name: (5-octoxy-4-phenyl-pyrimidin-2-yl) 2-methylbutanoate CAS Name: 2-methylbutanoic acid (5-octoxy-4-phenyl-2-pyrimidinyl) ester IUPAC Name: (5-octoxy-4-phenylpyrimidin-2-yl) 2-methylbutanoate Traditional Name: 2-methylbutyric acid (5-octoxy-4-phenyl-pyrimidin-2-yl) ester Formula: C23H32N2O3 MolecularWeight: 384.51178

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H32N2O3/c1-4-6-7-8-9-13-16-27-20-17-24-23(28-22(26)18(3)5-2)25-21(20)19-14-11-10-12-15-19/h10-12,14-15,17-18H,4-9,13,16H2,1-3H3