1-[4-(5-hexylpyrimidin-2-yl)phenyl]propan-2-yl ethanoate

Systemtic Name: 1-[4-(5-hexylpyrimidin-2-yl)phenyl]propan-2-yl ethanoate Openeye Name: [2-[4-(5-hexylpyrimidin-2-yl)phenyl]-1-methyl-ethyl] acetate CAS Name: acetic acid 1-[4-(5-hexyl-2-pyrimidinyl)phenyl]propan-2-yl ester IUPAC Name: 1-[4-(5-hexylpyrimidin-2-yl)phenyl]propan-2-yl acetate Traditional Name: acetic acid [2-[4-(5-hexylpyrimidin-2-yl)phenyl]-1-methyl-ethyl] ester Formula: C21H28N2O2 MolecularWeight: 340.45922

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)CC(C)OC(=O)C

Isomeric SMILES

CCCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)CC(C)OC(=O)C

InChI

InChI=1S/C21H28N2O2/c1-4-5-6-7-8-19-14-22-21(23-15-19)20-11-9-18(10-12-20)13-16(2)25-17(3)24/h9-12,14-16H,4-8,13H2,1-3H3