[2-[5-(2-methylbutoxy)pyrimidin-4-yl]phenyl] undecanoate

Systemtic Name: [2-[5-(2-methylbutoxy)pyrimidin-4-yl]phenyl] undecanoate Openeye Name: [2-[5-(2-methylbutoxy)pyrimidin-4-yl]phenyl] undecanoate CAS Name: undecanoic acid [2-[5-(2-methylbutoxy)-4-pyrimidinyl]phenyl] ester IUPAC Name: [2-[5-(2-methylbutoxy)pyrimidin-4-yl]phenyl] undecanoate Traditional Name: undecanoic acid [2-[5-(2-methylbutoxy)pyrimidin-4-yl]phenyl] ester Formula: C26H38N2O3 MolecularWeight: 426.59152

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCC(=O)OC1=CC=CC=C1C2=NC=NC=C2OCC(C)CC

Isomeric SMILES

CCCCCCCCCCC(=O)OC1=CC=CC=C1C2=NC=NC=C2OCC(C)CC

InChI

InChI=1S/C26H38N2O3/c1-4-6-7-8-9-10-11-12-17-25(29)31-23-16-14-13-15-22(23)26-24(18-27-20-28-26)30-19-21(3)5-2/h13-16,18,20-21H,4-12,17,19H2,1-3H3