2-[2-(3-methylpentoxy)phenyl]-4-undecyl-pyrimidine

Systemtic Name: 2-[2-(3-methylpentoxy)phenyl]-4-undecyl-pyrimidine Openeye Name: 2-[2-(3-methylpentoxy)phenyl]-4-undecyl-pyrimidine CAS Name: 2-[2-(3-methylpentoxy)phenyl]-4-undecylpyrimidine IUPAC Name: 2-[2-(3-methylpentoxy)phenyl]-4-undecylpyrimidine Traditional Name: 2-[2-(3-methylpentoxy)phenyl]-4-undecyl-pyrimidine Formula: C27H42N2O MolecularWeight: 410.63518

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC1=NC(=NC=C1)C2=CC=CC=C2OCCC(C)CC

Isomeric SMILES

CCCCCCCCCCCC1=NC(=NC=C1)C2=CC=CC=C2OCCC(C)CC

InChI

InChI=1S/C27H42N2O/c1-4-6-7-8-9-10-11-12-13-16-24-19-21-28-27(29-24)25-17-14-15-18-26(25)30-22-20-23(3)5-2/h14-15,17-19,21,23H,4-13,16,20,22H2,1-3H3