2-[2-fluoranyl-4-(4-methylhexoxy)phenyl]-5-(4-octylphenyl)pyrimidine

Systemtic Name: 2-[2-fluoranyl-4-(4-methylhexoxy)phenyl]-5-(4-octylphenyl)pyrimidine Openeye Name: 2-[2-fluoro-4-(4-methylhexoxy)phenyl]-5-(4-octylphenyl)pyrimidine CAS Name: 2-[2-fluoro-4-(4-methylhexoxy)phenyl]-5-(4-octylphenyl)pyrimidine IUPAC Name: 2-[2-fluoro-4-(4-methylhexoxy)phenyl]-5-(4-octylphenyl)pyrimidine Traditional Name: 2-[2-fluoro-4-(4-methylhexoxy)phenyl]-5-(4-octylphenyl)pyrimidine Formula: C31H41FN2O MolecularWeight: 476.668443

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=CC=C(C=C1)C2=CN=C(N=C2)C3=C(C=C(C=C3)OCCCC(C)CC)F

Isomeric SMILES

CCCCCCCCC1=CC=C(C=C1)C2=CN=C(N=C2)C3=C(C=C(C=C3)OCCCC(C)CC)F

InChI

InChI=1S/C31H41FN2O/c1-4-6-7-8-9-10-13-25-14-16-26(17-15-25)27-22-33-31(34-23-27)29-19-18-28(21-30(29)32)35-20-11-12-24(3)5-2/h14-19,21-24H,4-13,20H2,1-3H3