[4-[5-(4-decylphenyl)pyridin-2-yl]-2-fluoranyl-phenyl] 2,6-dimethylheptanoate

Systemtic Name: [4-[5-(4-decylphenyl)pyridin-2-yl]-2-fluoranyl-phenyl] 2,6-dimethylheptanoate Openeye Name: [4-[5-(4-decylphenyl)-2-pyridyl]-2-fluoro-phenyl] 2,6-dimethylheptanoate CAS Name: 2,6-dimethylheptanoic acid [4-[5-(4-decylphenyl)-2-pyridinyl]-2-fluorophenyl] ester IUPAC Name: [4-[5-(4-decylphenyl)pyridin-2-yl]-2-fluorophenyl] 2,6-dimethylheptanoate Traditional Name: 2,6-dimethylenanthic acid [4-[5-(4-decylphenyl)-2-pyridyl]-2-fluoro-phenyl] ester Formula: C36H48FNO2 MolecularWeight: 545.770223

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C36H48FNO2/c1-5-6-7-8-9-10-11-12-16-29-17-19-30(20-18-29)32-21-23-34(38-26-32)31-22-24-35(33(37)25-31)40-36(39)28(4)15-13-14-27(2)3/h17-28H,5-16H2,1-4H3