2-(4-dodecoxyphenyl)-5-[4-(2-fluoranylpropoxy)phenyl]pyrimidine

Systemtic Name: 2-(4-dodecoxyphenyl)-5-[4-(2-fluoranylpropoxy)phenyl]pyrimidine Openeye Name: 2-(4-dodecoxyphenyl)-5-[4-(2-fluoropropoxy)phenyl]pyrimidine CAS Name: 2-(4-dodecoxyphenyl)-5-[4-(2-fluoropropoxy)phenyl]pyrimidine IUPAC Name: 2-(4-dodecoxyphenyl)-5-[4-(2-fluoropropoxy)phenyl]pyrimidine Traditional Name: 5-[4-(2-fluoropropoxy)phenyl]-2-(4-lauryloxyphenyl)pyrimidine Formula: C31H41FN2O2 MolecularWeight: 492.667843

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCOC1=CC=C(C=C1)C2=NC=C(C=N2)C3=CC=C(C=C3)OCC(C)F

Isomeric SMILES

CCCCCCCCCCCCOC1=CC=C(C=C1)C2=NC=C(C=N2)C3=CC=C(C=C3)OCC(C)F

InChI

InChI=1S/C31H41FN2O2/c1-3-4-5-6-7-8-9-10-11-12-21-35-29-19-15-27(16-20-29)31-33-22-28(23-34-31)26-13-17-30(18-14-26)36-24-25(2)32/h13-20,22-23,25H,3-12,21,24H2,1-2H3