5-(7-cyclopentylheptoxy)-2-[2-fluoranyl-4-(2-fluoranyloctoxy)phenyl]pyrimidine

Systemtic Name: 5-(7-cyclopentylheptoxy)-2-[2-fluoranyl-4-(2-fluoranyloctoxy)phenyl]pyrimidine Openeye Name: 5-(7-cyclopentylheptoxy)-2-[2-fluoro-4-(2-fluorooctoxy)phenyl]pyrimidine CAS Name: 5-(7-cyclopentylheptoxy)-2-[2-fluoro-4-(2-fluorooctoxy)phenyl]pyrimidine IUPAC Name: 5-(7-cyclopentylheptoxy)-2-[2-fluoro-4-(2-fluorooctoxy)phenyl]pyrimidine Traditional Name: 5-(7-cyclopentylheptoxy)-2-[2-fluoro-4-(2-fluorooctoxy)phenyl]pyrimidine Formula: C30H44F2N2O2 MolecularWeight: 502.679366

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(COC1=CC(=C(C=C1)C2=NC=C(C=N2)OCCCCCCCC3CCCC3)F)F

Isomeric SMILES

CCCCCCC(COC1=CC(=C(C=C1)C2=NC=C(C=N2)OCCCCCCCC3CCCC3)F)F

InChI

InChI=1S/C30H44F2N2O2/c1-2-3-4-9-16-25(31)23-36-26-17-18-28(29(32)20-26)30-33-21-27(22-34-30)35-19-12-7-5-6-8-13-24-14-10-11-15-24/h17-18,20-22,24-25H,2-16,19,23H2,1H3