[3-fluoranyl-4-(4-phenylpyrimidin-2-yl)phenyl] 2,6-dimethylheptanoate

Systemtic Name: [3-fluoranyl-4-(4-phenylpyrimidin-2-yl)phenyl] 2,6-dimethylheptanoate Openeye Name: [3-fluoro-4-(4-phenylpyrimidin-2-yl)phenyl] 2,6-dimethylheptanoate CAS Name: 2,6-dimethylheptanoic acid [3-fluoro-4-(4-phenyl-2-pyrimidinyl)phenyl] ester IUPAC Name: [3-fluoro-4-(4-phenylpyrimidin-2-yl)phenyl] 2,6-dimethylheptanoate Traditional Name: 2,6-dimethylenanthic acid [3-fluoro-4-(4-phenylpyrimidin-2-yl)phenyl] ester Formula: C25H27FN2O2 MolecularWeight: 406.492483

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCCC(C)C(=O)OC1=CC(=C(C=C1)C2=NC=CC(=N2)C3=CC=CC=C3)F

Isomeric SMILES

CC(C)CCCC(C)C(=O)OC1=CC(=C(C=C1)C2=NC=CC(=N2)C3=CC=CC=C3)F

InChI

InChI=1S/C25H27FN2O2/c1-17(2)8-7-9-18(3)25(29)30-20-12-13-21(22(26)16-20)24-27-15-14-23(28-24)19-10-5-4-6-11-19/h4-6,10-18H,7-9H2,1-3H3