pentyl 4-(5-ethylpyrimidin-2-yl)benzoate

Systemtic Name: pentyl 4-(5-ethylpyrimidin-2-yl)benzoate Openeye Name: pentyl 4-(5-ethylpyrimidin-2-yl)benzoate CAS Name: 4-(5-ethyl-2-pyrimidinyl)benzoic acid pentyl ester IUPAC Name: pentyl 4-(5-ethylpyrimidin-2-yl)benzoate Traditional Name: 4-(5-ethylpyrimidin-2-yl)benzoic acid amyl ester Formula: C18H22N2O2 MolecularWeight: 298.37948

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC(=O)C1=CC=C(C=C1)C2=NC=C(C=N2)CC

Isomeric SMILES

CCCCCOC(=O)C1=CC=C(C=C1)C2=NC=C(C=N2)CC

InChI

InChI=1S/C18H22N2O2/c1-3-5-6-11-22-18(21)16-9-7-15(8-10-16)17-19-12-14(4-2)13-20-17/h7-10,12-13H,3-6,11H2,1-2H3