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

Systemtic Name: 5-(6-methyloctyl)-2-[4-[(E)-non-1-enoxy]phenyl]pyrimidine Openeye Name: 5-(6-methyloctyl)-2-[4-[(E)-non-1-enoxy]phenyl]pyrimidine CAS Name: 5-(6-methyloctyl)-2-[4-[(E)-non-1-enoxy]phenyl]pyrimidine IUPAC Name: 5-(6-methyloctyl)-2-[4-[(E)-non-1-enoxy]phenyl]pyrimidine Traditional Name: 5-(6-methyloctyl)-2-[4-[(E)-non-1-enoxy]phenyl]pyrimidine Formula: C28H42N2O MolecularWeight: 422.64588

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC=COC1=CC=C(C=C1)C2=NC=C(C=N2)CCCCCC(C)CC

Isomeric SMILES

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

InChI

InChI=1S/C28H42N2O/c1-4-6-7-8-9-10-14-21-31-27-19-17-26(18-20-27)28-29-22-25(23-30-28)16-13-11-12-15-24(3)5-2/h14,17-24H,4-13,15-16H2,1-3H3/b21-14+