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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(=O)OC1=CC=C(C=C1)C2=NC=C(C=N2)OCC(C)CC

Isomeric SMILES

CCCCCCC(=O)OC1=CC=C(C=C1)C2=NC=C(C=N2)OCC(C)CC

InChI

InChI=1S/C22H30N2O3/c1-4-6-7-8-9-21(25)27-19-12-10-18(11-13-19)22-23-14-20(15-24-22)26-16-17(3)5-2/h10-15,17H,4-9,16H2,1-3H3