5-(8-cyclopentyloctyl)-2-[3-fluoranyl-4-(2-fluoranyloctoxy)phenyl]pyrimidine

Systemtic Name: 5-(8-cyclopentyloctyl)-2-[3-fluoranyl-4-(2-fluoranyloctoxy)phenyl]pyrimidine Openeye Name: 5-(8-cyclopentyloctyl)-2-[3-fluoro-4-(2-fluorooctoxy)phenyl]pyrimidine CAS Name: 5-(8-cyclopentyloctyl)-2-[3-fluoro-4-(2-fluorooctoxy)phenyl]pyrimidine IUPAC Name: 5-(8-cyclopentyloctyl)-2-[3-fluoro-4-(2-fluorooctoxy)phenyl]pyrimidine Traditional Name: 5-(8-cyclopentyloctyl)-2-[3-fluoro-4-(2-fluorooctoxy)phenyl]pyrimidine Formula: C31H46F2N2O MolecularWeight: 500.706546

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(COC1=C(C=C(C=C1)C2=NC=C(C=N2)CCCCCCCCC3CCCC3)F)F

Isomeric SMILES

CCCCCCC(COC1=C(C=C(C=C1)C2=NC=C(C=N2)CCCCCCCCC3CCCC3)F)F

InChI

InChI=1S/C31H46F2N2O/c1-2-3-4-11-18-28(32)24-36-30-20-19-27(21-29(30)33)31-34-22-26(23-35-31)17-10-8-6-5-7-9-14-25-15-12-13-16-25/h19-23,25,28H,2-18,24H2,1H3