5-(4-dodecylphenyl)-2-[3-fluoranyl-4-(3-fluoranylheptoxy)phenyl]pyrimidine

Systemtic Name: 5-(4-dodecylphenyl)-2-[3-fluoranyl-4-(3-fluoranylheptoxy)phenyl]pyrimidine Openeye Name: 5-(4-dodecylphenyl)-2-[3-fluoro-4-(3-fluoroheptoxy)phenyl]pyrimidine CAS Name: 5-(4-dodecylphenyl)-2-[3-fluoro-4-(3-fluoroheptoxy)phenyl]pyrimidine IUPAC Name: 5-(4-dodecylphenyl)-2-[3-fluoro-4-(3-fluoroheptoxy)phenyl]pyrimidine Traditional Name: 2-[3-fluoro-4-(3-fluoroheptoxy)phenyl]-5-(4-laurylphenyl)pyrimidine Formula: C35H48F2N2O MolecularWeight: 550.765226

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC1=CC=C(C=C1)C2=CN=C(N=C2)C3=CC(=C(C=C3)OCCC(CCCC)F)F

Isomeric SMILES

CCCCCCCCCCCCC1=CC=C(C=C1)C2=CN=C(N=C2)C3=CC(=C(C=C3)OCCC(CCCC)F)F

InChI

InChI=1S/C35H48F2N2O/c1-3-5-7-8-9-10-11-12-13-14-15-28-17-19-29(20-18-28)31-26-38-35(39-27-31)30-21-22-34(33(37)25-30)40-24-23-32(36)16-6-4-2/h17-22,25-27,32H,3-16,23-24H2,1-2H3