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

Systemtic Name: (5-decoxy-4-phenyl-pyrimidin-2-yl) 2-methylbutanoate Openeye Name: (5-decoxy-4-phenyl-pyrimidin-2-yl) 2-methylbutanoate CAS Name: 2-methylbutanoic acid (5-decoxy-4-phenyl-2-pyrimidinyl) ester IUPAC Name: (5-decoxy-4-phenylpyrimidin-2-yl) 2-methylbutanoate Traditional Name: 2-methylbutyric acid (5-decoxy-4-phenyl-pyrimidin-2-yl) ester Formula: C25H36N2O3 MolecularWeight: 412.56494

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCOC1=CN=C(N=C1C2=CC=CC=C2)OC(=O)C(C)CC

Isomeric SMILES

CCCCCCCCCCOC1=CN=C(N=C1C2=CC=CC=C2)OC(=O)C(C)CC

InChI

InChI=1S/C25H36N2O3/c1-4-6-7-8-9-10-11-15-18-29-22-19-26-25(30-24(28)20(3)5-2)27-23(22)21-16-13-12-14-17-21/h12-14,16-17,19-20H,4-11,15,18H2,1-3H3