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

Systemtic Name: [3-fluoranyl-4-[5-(3-fluoranyl-4-octoxy-phenyl)pyrimidin-2-yl]phenyl] 2,6-dimethylheptanoate Openeye Name: [3-fluoro-4-[5-(3-fluoro-4-octoxy-phenyl)pyrimidin-2-yl]phenyl] 2,6-dimethylheptanoate CAS Name: 2,6-dimethylheptanoic acid [3-fluoro-4-[5-(3-fluoro-4-octoxyphenyl)-2-pyrimidinyl]phenyl] ester IUPAC Name: [3-fluoro-4-[5-(3-fluoro-4-octoxyphenyl)pyrimidin-2-yl]phenyl] 2,6-dimethylheptanoate Traditional Name: 2,6-dimethylenanthic acid [3-fluoro-4-[5-(3-fluoro-4-octoxy-phenyl)pyrimidin-2-yl]phenyl] ester Formula: C33H42F2N2O3 MolecularWeight: 552.694986

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=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

CCCCCCCCOC1=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/C33H42F2N2O3/c1-5-6-7-8-9-10-18-39-31-17-14-25(19-30(31)35)26-21-36-32(37-22-26)28-16-15-27(20-29(28)34)40-33(38)24(4)13-11-12-23(2)3/h14-17,19-24H,5-13,18H2,1-4H3