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

Systemtic Name: (5-hexoxy-4-phenyl-pyrimidin-2-yl) 3-methylpentanoate Openeye Name: (5-hexoxy-4-phenyl-pyrimidin-2-yl) 3-methylpentanoate CAS Name: 3-methylpentanoic acid (5-hexoxy-4-phenyl-2-pyrimidinyl) ester IUPAC Name: (5-hexoxy-4-phenylpyrimidin-2-yl) 3-methylpentanoate Traditional Name: 3-methylvaleric acid (5-hexoxy-4-phenyl-pyrimidin-2-yl) ester Formula: C22H30N2O3 MolecularWeight: 370.4852

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=CN=C(N=C1C2=CC=CC=C2)OC(=O)CC(C)CC

Isomeric SMILES

CCCCCCOC1=CN=C(N=C1C2=CC=CC=C2)OC(=O)CC(C)CC

InChI

InChI=1S/C22H30N2O3/c1-4-6-7-11-14-26-19-16-23-22(27-20(25)15-17(3)5-2)24-21(19)18-12-9-8-10-13-18/h8-10,12-13,16-17H,4-7,11,14-15H2,1-3H3