[2-fluoranyl-4-[5-(4-octylphenyl)pyrimidin-2-yl]phenyl] 2,6-dimethylheptanoate

Systemtic Name: [2-fluoranyl-4-[5-(4-octylphenyl)pyrimidin-2-yl]phenyl] 2,6-dimethylheptanoate Openeye Name: [2-fluoro-4-[5-(4-octylphenyl)pyrimidin-2-yl]phenyl] 2,6-dimethylheptanoate CAS Name: 2,6-dimethylheptanoic acid [2-fluoro-4-[5-(4-octylphenyl)-2-pyrimidinyl]phenyl] ester IUPAC Name: [2-fluoro-4-[5-(4-octylphenyl)pyrimidin-2-yl]phenyl] 2,6-dimethylheptanoate Traditional Name: 2,6-dimethylenanthic acid [2-fluoro-4-[5-(4-octylphenyl)pyrimidin-2-yl]phenyl] ester Formula: C33H43FN2O2 MolecularWeight: 518.705123

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=CC=C(C=C1)C2=CN=C(N=C2)C3=CC(=C(C=C3)OC(=O)C(C)CCCC(C)C)F

Isomeric SMILES

CCCCCCCCC1=CC=C(C=C1)C2=CN=C(N=C2)C3=CC(=C(C=C3)OC(=O)C(C)CCCC(C)C)F

InChI

InChI=1S/C33H43FN2O2/c1-5-6-7-8-9-10-14-26-15-17-27(18-16-26)29-22-35-32(36-23-29)28-19-20-31(30(34)21-28)38-33(37)25(4)13-11-12-24(2)3/h15-25H,5-14H2,1-4H3