2-[4-[2,3-bis(fluoranyl)pentoxy]phenyl]-5-dodecyl-pyrimidine

Systemtic Name: 2-[4-[2,3-bis(fluoranyl)pentoxy]phenyl]-5-dodecyl-pyrimidine Openeye Name: 2-[4-(2,3-difluoropentoxy)phenyl]-5-dodecyl-pyrimidine CAS Name: 2-[4-(2,3-difluoropentoxy)phenyl]-5-dodecylpyrimidine IUPAC Name: 2-[4-(2,3-difluoropentoxy)phenyl]-5-dodecylpyrimidine Traditional Name: 2-[4-(2,3-difluoropentoxy)phenyl]-5-lauryl-pyrimidine Formula: C27H40F2N2O MolecularWeight: 446.616106

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)OCC(C(CC)F)F

Isomeric SMILES

CCCCCCCCCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)OCC(C(CC)F)F

InChI

InChI=1S/C27H40F2N2O/c1-3-5-6-7-8-9-10-11-12-13-14-22-19-30-27(31-20-22)23-15-17-24(18-16-23)32-21-26(29)25(28)4-2/h15-20,25-26H,3-14,21H2,1-2H3