4-[2-(5-octoxypyrimidin-4-yl)phenyl]butan-2-yl ethanoate

Systemtic Name: 4-[2-(5-octoxypyrimidin-4-yl)phenyl]butan-2-yl ethanoate Openeye Name: [1-methyl-3-[2-(5-octoxypyrimidin-4-yl)phenyl]propyl] acetate CAS Name: acetic acid 4-[2-(5-octoxy-4-pyrimidinyl)phenyl]butan-2-yl ester IUPAC Name: 4-[2-(5-octoxypyrimidin-4-yl)phenyl]butan-2-yl acetate Traditional Name: acetic acid [1-methyl-3-[2-(5-octoxypyrimidin-4-yl)phenyl]propyl] ester Formula: C24H34N2O3 MolecularWeight: 398.53836

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=CN=CN=C1C2=CC=CC=C2CCC(C)OC(=O)C

Isomeric SMILES

CCCCCCCCOC1=CN=CN=C1C2=CC=CC=C2CCC(C)OC(=O)C

InChI

InChI=1S/C24H34N2O3/c1-4-5-6-7-8-11-16-28-23-17-25-18-26-24(23)22-13-10-9-12-21(22)15-14-19(2)29-20(3)27/h9-10,12-13,17-19H,4-8,11,14-16H2,1-3H3