[4-[5-(4-decoxy-3-fluoranyl-phenyl)pyridin-2-yl]-3-fluoranyl-phenyl] 2,6-dimethylheptanoate

Systemtic Name: [4-[5-(4-decoxy-3-fluoranyl-phenyl)pyridin-2-yl]-3-fluoranyl-phenyl] 2,6-dimethylheptanoate Openeye Name: [4-[5-(4-decoxy-3-fluoro-phenyl)-2-pyridyl]-3-fluoro-phenyl] 2,6-dimethylheptanoate CAS Name: 2,6-dimethylheptanoic acid [4-[5-(4-decoxy-3-fluorophenyl)-2-pyridinyl]-3-fluorophenyl] ester IUPAC Name: [4-[5-(4-decoxy-3-fluorophenyl)pyridin-2-yl]-3-fluorophenyl] 2,6-dimethylheptanoate Traditional Name: 2,6-dimethylenanthic acid [4-[5-(4-decoxy-3-fluoro-phenyl)-2-pyridyl]-3-fluoro-phenyl] ester Formula: C36H47F2NO3 MolecularWeight: 579.760086

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCOC1=C(C=C(C=C1)C2=CN=C(C=C2)C3=C(C=C(C=C3)OC(=O)C(C)CCCC(C)C)F)F

Isomeric SMILES

CCCCCCCCCCOC1=C(C=C(C=C1)C2=CN=C(C=C2)C3=C(C=C(C=C3)OC(=O)C(C)CCCC(C)C)F)F

InChI

InChI=1S/C36H47F2NO3/c1-5-6-7-8-9-10-11-12-22-41-35-21-17-28(23-33(35)38)29-16-20-34(39-25-29)31-19-18-30(24-32(31)37)42-36(40)27(4)15-13-14-26(2)3/h16-21,23-27H,5-15,22H2,1-4H3