2-[4-[2,4-bis(fluoranyl)heptoxy]phenyl]-5-undecyl-pyrimidine

Systemtic Name: 2-[4-[2,4-bis(fluoranyl)heptoxy]phenyl]-5-undecyl-pyrimidine Openeye Name: 2-[4-(2,4-difluoroheptoxy)phenyl]-5-undecyl-pyrimidine CAS Name: 2-[4-(2,4-difluoroheptoxy)phenyl]-5-undecylpyrimidine IUPAC Name: 2-[4-(2,4-difluoroheptoxy)phenyl]-5-undecylpyrimidine Traditional Name: 2-[4-(2,4-difluoroheptoxy)phenyl]-5-undecyl-pyrimidine Formula: C28H42F2N2O MolecularWeight: 460.642686

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)OCC(CC(CCC)F)F

Isomeric SMILES

CCCCCCCCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)OCC(CC(CCC)F)F

InChI

InChI=1S/C28H42F2N2O/c1-3-5-6-7-8-9-10-11-12-14-23-20-31-28(32-21-23)24-15-17-27(18-16-24)33-22-26(30)19-25(29)13-4-2/h15-18,20-21,25-26H,3-14,19,22H2,1-2H3