5-[4-(4-methylhexyl)phenyl]-2-[4-[(E)-oct-1-enoxy]phenyl]pyrimidine

Systemtic Name: 5-[4-(4-methylhexyl)phenyl]-2-[4-[(E)-oct-1-enoxy]phenyl]pyrimidine Openeye Name: 5-[4-(4-methylhexyl)phenyl]-2-[4-[(E)-oct-1-enoxy]phenyl]pyrimidine CAS Name: 5-[4-(4-methylhexyl)phenyl]-2-[4-[(E)-oct-1-enoxy]phenyl]pyrimidine IUPAC Name: 5-[4-(4-methylhexyl)phenyl]-2-[4-[(E)-oct-1-enoxy]phenyl]pyrimidine Traditional Name: 5-[4-(4-methylhexyl)phenyl]-2-[4-[(E)-oct-1-enoxy]phenyl]pyrimidine Formula: C31H40N2O MolecularWeight: 456.6621

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC=COC1=CC=C(C=C1)C2=NC=C(C=N2)C3=CC=C(C=C3)CCCC(C)CC

Isomeric SMILES

CCCCCC/C=C/OC1=CC=C(C=C1)C2=NC=C(C=N2)C3=CC=C(C=C3)CCCC(C)CC

InChI

InChI=1S/C31H40N2O/c1-4-6-7-8-9-10-22-34-30-20-18-28(19-21-30)31-32-23-29(24-33-31)27-16-14-26(15-17-27)13-11-12-25(3)5-2/h10,14-25H,4-9,11-13H2,1-3H3/b22-10+