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

Systemtic Name: 2-(4-butylphenyl)-5-[4-(2-fluoranylheptoxy)phenyl]pyrimidine Openeye Name: 2-(4-butylphenyl)-5-[4-(2-fluoroheptoxy)phenyl]pyrimidine CAS Name: 2-(4-butylphenyl)-5-[4-(2-fluoroheptoxy)phenyl]pyrimidine IUPAC Name: 2-(4-butylphenyl)-5-[4-(2-fluoroheptoxy)phenyl]pyrimidine Traditional Name: 2-(4-butylphenyl)-5-[4-(2-fluoroheptoxy)phenyl]pyrimidine Formula: C27H33FN2O MolecularWeight: 420.562123

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(COC1=CC=C(C=C1)C2=CN=C(N=C2)C3=CC=C(C=C3)CCCC)F

Isomeric SMILES

CCCCCC(COC1=CC=C(C=C1)C2=CN=C(N=C2)C3=CC=C(C=C3)CCCC)F

InChI

InChI=1S/C27H33FN2O/c1-3-5-7-9-25(28)20-31-26-16-14-22(15-17-26)24-18-29-27(30-19-24)23-12-10-21(11-13-23)8-6-4-2/h10-19,25H,3-9,20H2,1-2H3