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

Systemtic Name: 2-[3-fluoranyl-4-(3-fluoranylheptoxy)phenyl]-5-(4-octoxyphenyl)pyrimidine Openeye Name: 2-[3-fluoro-4-(3-fluoroheptoxy)phenyl]-5-(4-octoxyphenyl)pyrimidine CAS Name: 2-[3-fluoro-4-(3-fluoroheptoxy)phenyl]-5-(4-octoxyphenyl)pyrimidine IUPAC Name: 2-[3-fluoro-4-(3-fluoroheptoxy)phenyl]-5-(4-octoxyphenyl)pyrimidine Traditional Name: 2-[3-fluoro-4-(3-fluoroheptoxy)phenyl]-5-(4-octoxyphenyl)pyrimidine Formula: C31H40F2N2O2 MolecularWeight: 510.658306

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=CC=C(C=C1)C2=CN=C(N=C2)C3=CC(=C(C=C3)OCCC(CCCC)F)F

Isomeric SMILES

CCCCCCCCOC1=CC=C(C=C1)C2=CN=C(N=C2)C3=CC(=C(C=C3)OCCC(CCCC)F)F

InChI

InChI=1S/C31H40F2N2O2/c1-3-5-7-8-9-10-19-36-28-15-12-24(13-16-28)26-22-34-31(35-23-26)25-14-17-30(29(33)21-25)37-20-18-27(32)11-6-4-2/h12-17,21-23,27H,3-11,18-20H2,1-2H3