5-[4-(6-methyloctyl)phenyl]-2-[4-[(E)-oct-1-enoxy]phenyl]pyrimidine

Systemtic Name: 5-[4-(6-methyloctyl)phenyl]-2-[4-[(E)-oct-1-enoxy]phenyl]pyrimidine Openeye Name: 5-[4-(6-methyloctyl)phenyl]-2-[4-[(E)-oct-1-enoxy]phenyl]pyrimidine CAS Name: 5-[4-(6-methyloctyl)phenyl]-2-[4-[(E)-oct-1-enoxy]phenyl]pyrimidine IUPAC Name: 5-[4-(6-methyloctyl)phenyl]-2-[4-[(E)-oct-1-enoxy]phenyl]pyrimidine Traditional Name: 5-[4-(6-methyloctyl)phenyl]-2-[4-[(E)-oct-1-enoxy]phenyl]pyrimidine Formula: C33H44N2O MolecularWeight: 484.71526

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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)CCCCCC(C)CC

Isomeric SMILES

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

InChI

InChI=1S/C33H44N2O/c1-4-6-7-8-9-13-24-36-32-22-20-30(21-23-32)33-34-25-31(26-35-33)29-18-16-28(17-19-29)15-12-10-11-14-27(3)5-2/h13,16-27H,4-12,14-15H2,1-3H3/b24-13+