2-[4-[3-[2-(2-butoxyethoxy)ethoxy]-2-fluoranyl-propoxy]phenyl]-5-octyl-pyrimidine

Systemtic Name: 2-[4-[3-[2-(2-butoxyethoxy)ethoxy]-2-fluoranyl-propoxy]phenyl]-5-octyl-pyrimidine Openeye Name: 2-[4-[3-[2-(2-butoxyethoxy)ethoxy]-2-fluoro-propoxy]phenyl]-5-octyl-pyrimidine CAS Name: 2-[4-[3-[2-(2-butoxyethoxy)ethoxy]-2-fluoropropoxy]phenyl]-5-octylpyrimidine IUPAC Name: 2-[4-[3-[2-(2-butoxyethoxy)ethoxy]-2-fluoropropoxy]phenyl]-5-octylpyrimidine Traditional Name: 2-[4-[3-[2-(2-butoxyethoxy)ethoxy]-2-fluoro-propoxy]phenyl]-5-octyl-pyrimidine Formula: C29H45FN2O4 MolecularWeight: 504.677003

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)OCC(COCCOCCOCCCC)F

Isomeric SMILES

CCCCCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)OCC(COCCOCCOCCCC)F

InChI

InChI=1S/C29H45FN2O4/c1-3-5-7-8-9-10-11-25-21-31-29(32-22-25)26-12-14-28(15-13-26)36-24-27(30)23-35-20-19-34-18-17-33-16-6-4-2/h12-15,21-22,27H,3-11,16-20,23-24H2,1-2H3