5-dodecyl-2-[4-(2-octyl-3H-1-benzofuran-2-yl)phenyl]pyrimidine

Systemtic Name: 5-dodecyl-2-[4-(2-octyl-3H-1-benzofuran-2-yl)phenyl]pyrimidine Openeye Name: 5-dodecyl-2-[4-(2-octyl-3H-benzofuran-2-yl)phenyl]pyrimidine CAS Name: 5-dodecyl-2-[4-(2-octyl-3H-benzofuran-2-yl)phenyl]pyrimidine IUPAC Name: 5-dodecyl-2-[4-(2-octyl-3H-1-benzofuran-2-yl)phenyl]pyrimidine Traditional Name: 5-lauryl-2-[4-(2-octylcoumaran-2-yl)phenyl]pyrimidine Formula: C38H54N2O MolecularWeight: 554.84816

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)C3(CC4=CC=CC=C4O3)CCCCCCCC

Isomeric SMILES

CCCCCCCCCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)C3(CC4=CC=CC=C4O3)CCCCCCCC

InChI

InChI=1S/C38H54N2O/c1-3-5-7-9-11-12-13-14-15-17-21-32-30-39-37(40-31-32)33-24-26-35(27-25-33)38(28-20-16-10-8-6-4-2)29-34-22-18-19-23-36(34)41-38/h18-19,22-27,30-31H,3-17,20-21,28-29H2,1-2H3