1-(4-pyrimidin-2-ylphenoxy)propan-2-yl pentanoate

Systemtic Name: 1-(4-pyrimidin-2-ylphenoxy)propan-2-yl pentanoate Openeye Name: [1-methyl-2-(4-pyrimidin-2-ylphenoxy)ethyl] pentanoate CAS Name: pentanoic acid 1-[4-(2-pyrimidinyl)phenoxy]propan-2-yl ester IUPAC Name: 1-(4-pyrimidin-2-ylphenoxy)propan-2-yl pentanoate Traditional Name: valeric acid [1-methyl-2-[4-(2-pyrimidyl)phenoxy]ethyl] ester Formula: C18H22N2O3 MolecularWeight: 314.37888

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)OC(C)COC1=CC=C(C=C1)C2=NC=CC=N2

Isomeric SMILES

CCCCC(=O)OC(C)COC1=CC=C(C=C1)C2=NC=CC=N2

InChI

InChI=1S/C18H22N2O3/c1-3-4-6-17(21)23-14(2)13-22-16-9-7-15(8-10-16)18-19-11-5-12-20-18/h5,7-12,14H,3-4,6,13H2,1-2H3