1-[4-(5-pentylpyrimidin-2-yl)phenyl]propan-2-yl butanoate

Systemtic Name: 1-[4-(5-pentylpyrimidin-2-yl)phenyl]propan-2-yl butanoate Openeye Name: [1-methyl-2-[4-(5-pentylpyrimidin-2-yl)phenyl]ethyl] butanoate CAS Name: butanoic acid 1-[4-(5-pentyl-2-pyrimidinyl)phenyl]propan-2-yl ester IUPAC Name: 1-[4-(5-pentylpyrimidin-2-yl)phenyl]propan-2-yl butanoate Traditional Name: butyric acid [2-[4-(5-amylpyrimidin-2-yl)phenyl]-1-methyl-ethyl] ester Formula: C22H30N2O2 MolecularWeight: 354.4858

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)CC(C)OC(=O)CCC

Isomeric SMILES

CCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)CC(C)OC(=O)CCC

InChI

InChI=1S/C22H30N2O2/c1-4-6-7-9-19-15-23-22(24-16-19)20-12-10-18(11-13-20)14-17(3)26-21(25)8-5-2/h10-13,15-17H,4-9,14H2,1-3H3