2-[4-[3,4-bis(fluoranyl)hexoxy]phenyl]-5-undecyl-pyrimidine

Systemtic Name: 2-[4-[3,4-bis(fluoranyl)hexoxy]phenyl]-5-undecyl-pyrimidine Openeye Name: 2-[4-(3,4-difluorohexoxy)phenyl]-5-undecyl-pyrimidine CAS Name: 2-[4-(3,4-difluorohexoxy)phenyl]-5-undecylpyrimidine IUPAC Name: 2-[4-(3,4-difluorohexoxy)phenyl]-5-undecylpyrimidine Traditional Name: 2-[4-(3,4-difluorohexoxy)phenyl]-5-undecyl-pyrimidine Formula: C27H40F2N2O MolecularWeight: 446.616106

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)OCCC(C(CC)F)F

Isomeric SMILES

CCCCCCCCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)OCCC(C(CC)F)F

InChI

InChI=1S/C27H40F2N2O/c1-3-5-6-7-8-9-10-11-12-13-22-20-30-27(31-21-22)23-14-16-24(17-15-23)32-19-18-26(29)25(28)4-2/h14-17,20-21,25-26H,3-13,18-19H2,1-2H3