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

Systemtic Name: 5-(5-methylheptyl)-2-[4-[(E)-oct-1-enoxy]phenyl]pyrimidine Openeye Name: 5-(5-methylheptyl)-2-[4-[(E)-oct-1-enoxy]phenyl]pyrimidine CAS Name: 5-(5-methylheptyl)-2-[4-[(E)-oct-1-enoxy]phenyl]pyrimidine IUPAC Name: 5-(5-methylheptyl)-2-[4-[(E)-oct-1-enoxy]phenyl]pyrimidine Traditional Name: 5-(5-methylheptyl)-2-[4-[(E)-oct-1-enoxy]phenyl]pyrimidine Formula: C26H38N2O MolecularWeight: 394.59272

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC=COC1=CC=C(C=C1)C2=NC=C(C=N2)CCCCC(C)CC

Isomeric SMILES

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

InChI

InChI=1S/C26H38N2O/c1-4-6-7-8-9-12-19-29-25-17-15-24(16-18-25)26-27-20-23(21-28-26)14-11-10-13-22(3)5-2/h12,15-22H,4-11,13-14H2,1-3H3/b19-12+