[4-[5-(4-decyl-3-fluoranyl-phenyl)pyrimidin-2-yl]-3-fluoranyl-phenyl] 2,6-dimethylheptanoate

Systemtic Name: [4-[5-(4-decyl-3-fluoranyl-phenyl)pyrimidin-2-yl]-3-fluoranyl-phenyl] 2,6-dimethylheptanoate Openeye Name: [4-[5-(4-decyl-3-fluoro-phenyl)pyrimidin-2-yl]-3-fluoro-phenyl] 2,6-dimethylheptanoate CAS Name: 2,6-dimethylheptanoic acid [4-[5-(4-decyl-3-fluorophenyl)-2-pyrimidinyl]-3-fluorophenyl] ester IUPAC Name: [4-[5-(4-decyl-3-fluorophenyl)pyrimidin-2-yl]-3-fluorophenyl] 2,6-dimethylheptanoate Traditional Name: 2,6-dimethylenanthic acid [4-[5-(4-decyl-3-fluoro-phenyl)pyrimidin-2-yl]-3-fluoro-phenyl] ester Formula: C35H46F2N2O2 MolecularWeight: 564.748746

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C35H46F2N2O2/c1-5-6-7-8-9-10-11-12-16-27-17-18-28(21-32(27)36)29-23-38-34(39-24-29)31-20-19-30(22-33(31)37)41-35(40)26(4)15-13-14-25(2)3/h17-26H,5-16H2,1-4H3