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

Systemtic Name: 5-[4-(2-fluoranyl-3-methyl-butoxy)phenyl]-2-(4-octoxyphenyl)pyrimidine Openeye Name: 5-[4-(2-fluoro-3-methyl-butoxy)phenyl]-2-(4-octoxyphenyl)pyrimidine CAS Name: 5-[4-(2-fluoro-3-methylbutoxy)phenyl]-2-(4-octoxyphenyl)pyrimidine IUPAC Name: 5-[4-(2-fluoro-3-methylbutoxy)phenyl]-2-(4-octoxyphenyl)pyrimidine Traditional Name: 5-[4-(2-fluoro-3-methyl-butoxy)phenyl]-2-(4-octoxyphenyl)pyrimidine Formula: C29H37FN2O2 MolecularWeight: 464.614683

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=CC=C(C=C1)C2=NC=C(C=N2)C3=CC=C(C=C3)OCC(C(C)C)F

Isomeric SMILES

CCCCCCCCOC1=CC=C(C=C1)C2=NC=C(C=N2)C3=CC=C(C=C3)OCC(C(C)C)F

InChI

InChI=1S/C29H37FN2O2/c1-4-5-6-7-8-9-18-33-26-16-12-24(13-17-26)29-31-19-25(20-32-29)23-10-14-27(15-11-23)34-21-28(30)22(2)3/h10-17,19-20,22,28H,4-9,18,21H2,1-3H3