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

Systemtic Name: 5-decyl-2-[4-(2-octyl-2,3-dihydro-1-benzofuran-5-yl)phenyl]pyrimidine Openeye Name: 5-decyl-2-[4-(2-octyl-2,3-dihydrobenzofuran-5-yl)phenyl]pyrimidine CAS Name: 5-decyl-2-[4-(2-octyl-2,3-dihydrobenzofuran-5-yl)phenyl]pyrimidine IUPAC Name: 5-decyl-2-[4-(2-octyl-2,3-dihydro-1-benzofuran-5-yl)phenyl]pyrimidine Traditional Name: 5-decyl-2-[4-(2-octylcoumaran-5-yl)phenyl]pyrimidine Formula: C36H50N2O MolecularWeight: 526.795

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C36H50N2O/c1-3-5-7-9-11-12-13-15-17-29-27-37-36(38-28-29)31-21-19-30(20-22-31)32-23-24-35-33(25-32)26-34(39-35)18-16-14-10-8-6-4-2/h19-25,27-28,34H,3-18,26H2,1-2H3