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

Systemtic Name: [2-[5-(2-methylbutoxy)pyrimidin-4-yl]phenyl] heptanoate Openeye Name: [2-[5-(2-methylbutoxy)pyrimidin-4-yl]phenyl] heptanoate CAS Name: heptanoic acid [2-[5-(2-methylbutoxy)-4-pyrimidinyl]phenyl] ester IUPAC Name: [2-[5-(2-methylbutoxy)pyrimidin-4-yl]phenyl] heptanoate Traditional Name: enanthic acid [2-[5-(2-methylbutoxy)pyrimidin-4-yl]phenyl] ester Formula: C22H30N2O3 MolecularWeight: 370.4852

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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