[4-(5-heptoxypyrimidin-2-yl)phenyl] 3-fluoranyl-2-methyl-pentanoate

Systemtic Name: [4-(5-heptoxypyrimidin-2-yl)phenyl] 3-fluoranyl-2-methyl-pentanoate Openeye Name: [4-(5-heptoxypyrimidin-2-yl)phenyl] 3-fluoro-2-methyl-pentanoate CAS Name: 3-fluoro-2-methylpentanoic acid [4-(5-heptoxy-2-pyrimidinyl)phenyl] ester IUPAC Name: [4-(5-heptoxypyrimidin-2-yl)phenyl] 3-fluoro-2-methylpentanoate Traditional Name: 3-fluoro-2-methyl-valeric acid [4-(5-heptoxypyrimidin-2-yl)phenyl] ester Formula: C23H31FN2O3 MolecularWeight: 402.502243

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOC1=CN=C(N=C1)C2=CC=C(C=C2)OC(=O)C(C)C(CC)F

Isomeric SMILES

CCCCCCCOC1=CN=C(N=C1)C2=CC=C(C=C2)OC(=O)C(C)C(CC)F

InChI

InChI=1S/C23H31FN2O3/c1-4-6-7-8-9-14-28-20-15-25-22(26-16-20)18-10-12-19(13-11-18)29-23(27)17(3)21(24)5-2/h10-13,15-17,21H,4-9,14H2,1-3H3