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

Systemtic Name: 2-(4-dodecylphenyl)-5-heptoxy-pyrimidine Openeye Name: 2-(4-dodecylphenyl)-5-heptoxy-pyrimidine CAS Name: 2-(4-dodecylphenyl)-5-heptoxypyrimidine IUPAC Name: 2-(4-dodecylphenyl)-5-heptoxypyrimidine Traditional Name: 5-heptoxy-2-(4-laurylphenyl)pyrimidine Formula: C29H46N2O MolecularWeight: 438.68834

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H46N2O/c1-3-5-7-9-10-11-12-13-14-16-18-26-19-21-27(22-20-26)29-30-24-28(25-31-29)32-23-17-15-8-6-4-2/h19-22,24-25H,3-18,23H2,1-2H3