[4-[2-(4-butoxyphenyl)pyrimidin-5-yl]phenyl] 2-fluoranyl-2-methyl-heptanoate

Systemtic Name: [4-[2-(4-butoxyphenyl)pyrimidin-5-yl]phenyl] 2-fluoranyl-2-methyl-heptanoate Openeye Name: [4-[2-(4-butoxyphenyl)pyrimidin-5-yl]phenyl] 2-fluoro-2-methyl-heptanoate CAS Name: 2-fluoro-2-methylheptanoic acid [4-[2-(4-butoxyphenyl)-5-pyrimidinyl]phenyl] ester IUPAC Name: [4-[2-(4-butoxyphenyl)pyrimidin-5-yl]phenyl] 2-fluoro-2-methylheptanoate Traditional Name: 2-fluoro-2-methyl-enanthic acid [4-[2-(4-butoxyphenyl)pyrimidin-5-yl]phenyl] ester Formula: C28H33FN2O3 MolecularWeight: 464.571623

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C)(C(=O)OC1=CC=C(C=C1)C2=CN=C(N=C2)C3=CC=C(C=C3)OCCCC)F

Isomeric SMILES

CCCCCC(C)(C(=O)OC1=CC=C(C=C1)C2=CN=C(N=C2)C3=CC=C(C=C3)OCCCC)F

InChI

InChI=1S/C28H33FN2O3/c1-4-6-8-17-28(3,29)27(32)34-25-15-9-21(10-16-25)23-19-30-26(31-20-23)22-11-13-24(14-12-22)33-18-7-5-2/h9-16,19-20H,4-8,17-18H2,1-3H3