5-decyl-2-[2-fluoranyl-4-(2-octyl-2,3-dihydro-1-benzofuran-5-yl)phenyl]pyrimidine

Systemtic Name: 5-decyl-2-[2-fluoranyl-4-(2-octyl-2,3-dihydro-1-benzofuran-5-yl)phenyl]pyrimidine Openeye Name: 5-decyl-2-[2-fluoro-4-(2-octyl-2,3-dihydrobenzofuran-5-yl)phenyl]pyrimidine CAS Name: 5-decyl-2-[2-fluoro-4-(2-octyl-2,3-dihydrobenzofuran-5-yl)phenyl]pyrimidine IUPAC Name: 5-decyl-2-[2-fluoro-4-(2-octyl-2,3-dihydro-1-benzofuran-5-yl)phenyl]pyrimidine Traditional Name: 5-decyl-2-[2-fluoro-4-(2-octylcoumaran-5-yl)phenyl]pyrimidine Formula: C36H49FN2O MolecularWeight: 544.785463

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCC1=CN=C(N=C1)C2=C(C=C(C=C2)C3=CC4=C(C=C3)OC(C4)CCCCCCCC)F

Isomeric SMILES

CCCCCCCCCCC1=CN=C(N=C1)C2=C(C=C(C=C2)C3=CC4=C(C=C3)OC(C4)CCCCCCCC)F

InChI

InChI=1S/C36H49FN2O/c1-3-5-7-9-11-12-13-15-17-28-26-38-36(39-27-28)33-21-19-30(25-34(33)37)29-20-22-35-31(23-29)24-32(40-35)18-16-14-10-8-6-4-2/h19-23,25-27,32H,3-18,24H2,1-2H3