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

Systemtic Name: 5-dodecyl-2-[4-(2-octyl-2,3-dihydro-1-benzofuran-5-yl)phenyl]pyrimidine Openeye Name: 5-dodecyl-2-[4-(2-octyl-2,3-dihydrobenzofuran-5-yl)phenyl]pyrimidine CAS Name: 5-dodecyl-2-[4-(2-octyl-2,3-dihydrobenzofuran-5-yl)phenyl]pyrimidine IUPAC Name: 5-dodecyl-2-[4-(2-octyl-2,3-dihydro-1-benzofuran-5-yl)phenyl]pyrimidine Traditional Name: 5-lauryl-2-[4-(2-octylcoumaran-5-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=C(C=C3)OC(C4)CCCCCCCC

Isomeric SMILES

CCCCCCCCCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)C3=CC4=C(C=C3)OC(C4)CCCCCCCC

InChI

InChI=1S/C38H54N2O/c1-3-5-7-9-11-12-13-14-15-17-19-31-29-39-38(40-30-31)33-23-21-32(22-24-33)34-25-26-37-35(27-34)28-36(41-37)20-18-16-10-8-6-4-2/h21-27,29-30,36H,3-20,28H2,1-2H3