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

Systemtic Name: (5-heptoxy-4-phenyl-pyrimidin-2-yl) 2-methylbutanoate Openeye Name: (5-heptoxy-4-phenyl-pyrimidin-2-yl) 2-methylbutanoate CAS Name: 2-methylbutanoic acid (5-heptoxy-4-phenyl-2-pyrimidinyl) ester IUPAC Name: (5-heptoxy-4-phenylpyrimidin-2-yl) 2-methylbutanoate Traditional Name: 2-methylbutyric acid (5-heptoxy-4-phenyl-pyrimidin-2-yl) ester Formula: C22H30N2O3 MolecularWeight: 370.4852

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOC1=CN=C(N=C1C2=CC=CC=C2)OC(=O)C(C)CC

Isomeric SMILES

CCCCCCCOC1=CN=C(N=C1C2=CC=CC=C2)OC(=O)C(C)CC

InChI

InChI=1S/C22H30N2O3/c1-4-6-7-8-12-15-26-19-16-23-22(27-21(25)17(3)5-2)24-20(19)18-13-10-9-11-14-18/h9-11,13-14,16-17H,4-8,12,15H2,1-3H3