[2-(4-decoxyphenyl)pyrimidin-5-yl] 2-methylbutanoate

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCOC1=CC=C(C=C1)C2=NC=C(C=N2)OC(=O)C(C)CC

Isomeric SMILES

CCCCCCCCCCOC1=CC=C(C=C1)C2=NC=C(C=N2)OC(=O)C(C)CC

InChI

InChI=1S/C25H36N2O3/c1-4-6-7-8-9-10-11-12-17-29-22-15-13-21(14-16-22)24-26-18-23(19-27-24)30-25(28)20(3)5-2/h13-16,18-20H,4-12,17H2,1-3H3