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

Systemtic Name: [2-(4-pentoxyphenyl)pyrimidin-5-yl] 2-methylbutanoate Openeye Name: [2-(4-pentoxyphenyl)pyrimidin-5-yl] 2-methylbutanoate CAS Name: 2-methylbutanoic acid [2-(4-pentoxyphenyl)-5-pyrimidinyl] ester IUPAC Name: [2-(4-pentoxyphenyl)pyrimidin-5-yl] 2-methylbutanoate Traditional Name: 2-methylbutyric acid [2-(4-amoxyphenyl)pyrimidin-5-yl] ester Formula: C20H26N2O3 MolecularWeight: 342.43204

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=CC=C(C=C1)C2=NC=C(C=N2)OC(=O)C(C)CC

Isomeric SMILES

CCCCCOC1=CC=C(C=C1)C2=NC=C(C=N2)OC(=O)C(C)CC

InChI

InChI=1S/C20H26N2O3/c1-4-6-7-12-24-17-10-8-16(9-11-17)19-21-13-18(14-22-19)25-20(23)15(3)5-2/h8-11,13-15H,4-7,12H2,1-3H3