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

Systemtic Name: [4-[5-(4-decylphenyl)pyrimidin-2-yl]phenyl] 2-fluoranyl-2-methyl-heptanoate Openeye Name: [4-[5-(4-decylphenyl)pyrimidin-2-yl]phenyl] 2-fluoro-2-methyl-heptanoate CAS Name: 2-fluoro-2-methylheptanoic acid [4-[5-(4-decylphenyl)-2-pyrimidinyl]phenyl] ester IUPAC Name: [4-[5-(4-decylphenyl)pyrimidin-2-yl]phenyl] 2-fluoro-2-methylheptanoate Traditional Name: 2-fluoro-2-methyl-enanthic acid [4-[5-(4-decylphenyl)pyrimidin-2-yl]phenyl] ester Formula: C34H45FN2O2 MolecularWeight: 532.731703

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCC1=CC=C(C=C1)C2=CN=C(N=C2)C3=CC=C(C=C3)OC(=O)C(C)(CCCCC)F

Isomeric SMILES

CCCCCCCCCCC1=CC=C(C=C1)C2=CN=C(N=C2)C3=CC=C(C=C3)OC(=O)C(C)(CCCCC)F

InChI

InChI=1S/C34H45FN2O2/c1-4-6-8-9-10-11-12-13-15-27-16-18-28(19-17-27)30-25-36-32(37-26-30)29-20-22-31(23-21-29)39-33(38)34(3,35)24-14-7-5-2/h16-23,25-26H,4-15,24H2,1-3H3