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

Systemtic Name: 5-(4-decylphenyl)-2-[3-fluoranyl-4-(3-fluoranylheptoxy)phenyl]pyrimidine Openeye Name: 5-(4-decylphenyl)-2-[3-fluoro-4-(3-fluoroheptoxy)phenyl]pyrimidine CAS Name: 5-(4-decylphenyl)-2-[3-fluoro-4-(3-fluoroheptoxy)phenyl]pyrimidine IUPAC Name: 5-(4-decylphenyl)-2-[3-fluoro-4-(3-fluoroheptoxy)phenyl]pyrimidine Traditional Name: 5-(4-decylphenyl)-2-[3-fluoro-4-(3-fluoroheptoxy)phenyl]pyrimidine Formula: C33H44F2N2O MolecularWeight: 522.712066

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCC1=CC=C(C=C1)C2=CN=C(N=C2)C3=CC(=C(C=C3)OCCC(CCCC)F)F

Isomeric SMILES

CCCCCCCCCCC1=CC=C(C=C1)C2=CN=C(N=C2)C3=CC(=C(C=C3)OCCC(CCCC)F)F

InChI

InChI=1S/C33H44F2N2O/c1-3-5-7-8-9-10-11-12-13-26-15-17-27(18-16-26)29-24-36-33(37-25-29)28-19-20-32(31(35)23-28)38-22-21-30(34)14-6-4-2/h15-20,23-25,30H,3-14,21-22H2,1-2H3