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

Systemtic Name: 2-(4-decylphenyl)-5-[4-(2-fluoranylpropoxy)phenyl]pyrimidine Openeye Name: 2-(4-decylphenyl)-5-[4-(2-fluoropropoxy)phenyl]pyrimidine CAS Name: 2-(4-decylphenyl)-5-[4-(2-fluoropropoxy)phenyl]pyrimidine IUPAC Name: 2-(4-decylphenyl)-5-[4-(2-fluoropropoxy)phenyl]pyrimidine Traditional Name: 2-(4-decylphenyl)-5-[4-(2-fluoropropoxy)phenyl]pyrimidine Formula: C29H37FN2O MolecularWeight: 448.615283

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCC1=CC=C(C=C1)C2=NC=C(C=N2)C3=CC=C(C=C3)OCC(C)F

Isomeric SMILES

CCCCCCCCCCC1=CC=C(C=C1)C2=NC=C(C=N2)C3=CC=C(C=C3)OCC(C)F

InChI

InChI=1S/C29H37FN2O/c1-3-4-5-6-7-8-9-10-11-24-12-14-26(15-13-24)29-31-20-27(21-32-29)25-16-18-28(19-17-25)33-22-23(2)30/h12-21,23H,3-11,22H2,1-2H3