[4-[4-[3-(2-fluoranylheptanoyloxy)phenyl]pyrimidin-2-yl]phenyl] 2-methylheptanoate

Systemtic Name: [4-[4-[3-(2-fluoranylheptanoyloxy)phenyl]pyrimidin-2-yl]phenyl] 2-methylheptanoate Openeye Name: [4-[4-[3-(2-fluoroheptanoyloxy)phenyl]pyrimidin-2-yl]phenyl] 2-methylheptanoate CAS Name: 2-methylheptanoic acid [4-[4-[3-(2-fluoro-1-oxoheptoxy)phenyl]-2-pyrimidinyl]phenyl] ester IUPAC Name: [4-[4-[3-(2-fluoroheptanoyloxy)phenyl]pyrimidin-2-yl]phenyl] 2-methylheptanoate Traditional Name: 2-methylenanthic acid [4-[4-[3-(2-fluoroheptanoyloxy)phenyl]pyrimidin-2-yl]phenyl] ester Formula: C31H37FN2O4 MolecularWeight: 520.634883

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C)C(=O)OC1=CC=C(C=C1)C2=NC=CC(=N2)C3=CC(=CC=C3)OC(=O)C(CCCCC)F

Isomeric SMILES

CCCCCC(C)C(=O)OC1=CC=C(C=C1)C2=NC=CC(=N2)C3=CC(=CC=C3)OC(=O)C(CCCCC)F

InChI

InChI=1S/C31H37FN2O4/c1-4-6-8-11-22(3)30(35)37-25-17-15-23(16-18-25)29-33-20-19-28(34-29)24-12-10-13-26(21-24)38-31(36)27(32)14-9-7-5-2/h10,12-13,15-22,27H,4-9,11,14H2,1-3H3