5-[4-(2-fluoranylheptoxy)phenyl]-2-(4-hexylphenyl)pyrimidine

Systemtic Name: 5-[4-(2-fluoranylheptoxy)phenyl]-2-(4-hexylphenyl)pyrimidine Openeye Name: 5-[4-(2-fluoroheptoxy)phenyl]-2-(4-hexylphenyl)pyrimidine CAS Name: 5-[4-(2-fluoroheptoxy)phenyl]-2-(4-hexylphenyl)pyrimidine IUPAC Name: 5-[4-(2-fluoroheptoxy)phenyl]-2-(4-hexylphenyl)pyrimidine Traditional Name: 5-[4-(2-fluoroheptoxy)phenyl]-2-(4-hexylphenyl)pyrimidine Formula: C29H37FN2O MolecularWeight: 448.615283

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=CC=C(C=C1)C2=NC=C(C=N2)C3=CC=C(C=C3)OCC(CCCCC)F

Isomeric SMILES

CCCCCCC1=CC=C(C=C1)C2=NC=C(C=N2)C3=CC=C(C=C3)OCC(CCCCC)F

InChI

InChI=1S/C29H37FN2O/c1-3-5-7-9-10-23-12-14-25(15-13-23)29-31-20-26(21-32-29)24-16-18-28(19-17-24)33-22-27(30)11-8-6-4-2/h12-21,27H,3-11,22H2,1-2H3