5-[(E)-oct-3-enoxy]-2-[4-(4-pentylphenyl)phenyl]pyrimidine

Systemtic Name: 5-[(E)-oct-3-enoxy]-2-[4-(4-pentylphenyl)phenyl]pyrimidine Openeye Name: 5-[(E)-oct-3-enoxy]-2-[4-(4-pentylphenyl)phenyl]pyrimidine CAS Name: 5-[(E)-oct-3-enoxy]-2-[4-(4-pentylphenyl)phenyl]pyrimidine IUPAC Name: 5-[(E)-oct-3-enoxy]-2-[4-(4-pentylphenyl)phenyl]pyrimidine Traditional Name: 2-[4-(4-amylphenyl)phenyl]-5-[(E)-oct-3-enoxy]pyrimidine Formula: C29H36N2O MolecularWeight: 428.60894

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=CC=C(C=C1)C2=CC=C(C=C2)C3=NC=C(C=N3)OCCC=CCCCC

Isomeric SMILES

CCCCCC1=CC=C(C=C1)C2=CC=C(C=C2)C3=NC=C(C=N3)OCC/C=C/CCCC

InChI

InChI=1S/C29H36N2O/c1-3-5-7-8-9-11-21-32-28-22-30-29(31-23-28)27-19-17-26(18-20-27)25-15-13-24(14-16-25)12-10-6-4-2/h8-9,13-20,22-23H,3-7,10-12,21H2,1-2H3/b9-8+