2-(4-dodecylphenyl)-5-undecoxy-pyrimidine

Systemtic Name: 2-(4-dodecylphenyl)-5-undecoxy-pyrimidine Openeye Name: 2-(4-dodecylphenyl)-5-undecoxy-pyrimidine CAS Name: 2-(4-dodecylphenyl)-5-undecoxypyrimidine IUPAC Name: 2-(4-dodecylphenyl)-5-undecoxypyrimidine Traditional Name: 2-(4-laurylphenyl)-5-undecoxy-pyrimidine Formula: C33H54N2O MolecularWeight: 494.79466

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC1=CC=C(C=C1)C2=NC=C(C=N2)OCCCCCCCCCCC

Isomeric SMILES

CCCCCCCCCCCCC1=CC=C(C=C1)C2=NC=C(C=N2)OCCCCCCCCCCC

InChI

InChI=1S/C33H54N2O/c1-3-5-7-9-11-13-14-16-18-20-22-30-23-25-31(26-24-30)33-34-28-32(29-35-33)36-27-21-19-17-15-12-10-8-6-4-2/h23-26,28-29H,3-22,27H2,1-2H3