2-[4-(2-hexoxypropoxy)phenyl]-5-octyl-pyrimidine

Systemtic Name: 2-[4-(2-hexoxypropoxy)phenyl]-5-octyl-pyrimidine Openeye Name: 2-[4-(2-hexoxypropoxy)phenyl]-5-octyl-pyrimidine CAS Name: 2-[4-(2-hexoxypropoxy)phenyl]-5-octylpyrimidine IUPAC Name: 2-[4-(2-hexoxypropoxy)phenyl]-5-octylpyrimidine Traditional Name: 2-[4-(2-hexoxypropoxy)phenyl]-5-octyl-pyrimidine Formula: C27H42N2O2 MolecularWeight: 426.63458

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)OCC(C)OCCCCCC

Isomeric SMILES

CCCCCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)OCC(C)OCCCCCC

InChI

InChI=1S/C27H42N2O2/c1-4-6-8-10-11-12-14-24-20-28-27(29-21-24)25-15-17-26(18-16-25)31-22-23(3)30-19-13-9-7-5-2/h15-18,20-21,23H,4-14,19,22H2,1-3H3