7-[4-(5-decoxypyrimidin-2-yl)phenyl]heptan-2-yl ethanoate

Systemtic Name: 7-[4-(5-decoxypyrimidin-2-yl)phenyl]heptan-2-yl ethanoate Openeye Name: [6-[4-(5-decoxypyrimidin-2-yl)phenyl]-1-methyl-hexyl] acetate CAS Name: acetic acid 7-[4-(5-decoxy-2-pyrimidinyl)phenyl]heptan-2-yl ester IUPAC Name: 7-[4-(5-decoxypyrimidin-2-yl)phenyl]heptan-2-yl acetate Traditional Name: acetic acid [6-[4-(5-decoxypyrimidin-2-yl)phenyl]-1-methyl-hexyl] ester Formula: C29H44N2O3 MolecularWeight: 468.67126

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCOC1=CN=C(N=C1)C2=CC=C(C=C2)CCCCCC(C)OC(=O)C

Isomeric SMILES

CCCCCCCCCCOC1=CN=C(N=C1)C2=CC=C(C=C2)CCCCCC(C)OC(=O)C

InChI

InChI=1S/C29H44N2O3/c1-4-5-6-7-8-9-10-14-21-33-28-22-30-29(31-23-28)27-19-17-26(18-20-27)16-13-11-12-15-24(2)34-25(3)32/h17-20,22-24H,4-16,21H2,1-3H3