[4-(5-pentylpyrimidin-2-yl)phenyl] 3-heptoxy-2-methyl-propanoate

Systemtic Name: [4-(5-pentylpyrimidin-2-yl)phenyl] 3-heptoxy-2-methyl-propanoate Openeye Name: [4-(5-pentylpyrimidin-2-yl)phenyl] 3-heptoxy-2-methyl-propanoate CAS Name: 3-heptoxy-2-methylpropanoic acid [4-(5-pentyl-2-pyrimidinyl)phenyl] ester IUPAC Name: [4-(5-pentylpyrimidin-2-yl)phenyl] 3-heptoxy-2-methylpropanoate Traditional Name: 3-heptoxy-2-methyl-propionic acid [4-(5-amylpyrimidin-2-yl)phenyl] ester Formula: C26H38N2O3 MolecularWeight: 426.59152

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOCC(C)C(=O)OC1=CC=C(C=C1)C2=NC=C(C=N2)CCCCC

Isomeric SMILES

CCCCCCCOCC(C)C(=O)OC1=CC=C(C=C1)C2=NC=C(C=N2)CCCCC

InChI

InChI=1S/C26H38N2O3/c1-4-6-8-9-11-17-30-20-21(3)26(29)31-24-15-13-23(14-16-24)25-27-18-22(19-28-25)12-10-7-5-2/h13-16,18-19,21H,4-12,17,20H2,1-3H3