4-[2-(5-methylheptoxy)phenyl]-5-nonyl-pyrimidine

Systemtic Name: 4-[2-(5-methylheptoxy)phenyl]-5-nonyl-pyrimidine Openeye Name: 4-[2-(5-methylheptoxy)phenyl]-5-nonyl-pyrimidine CAS Name: 4-[2-(5-methylheptoxy)phenyl]-5-nonylpyrimidine IUPAC Name: 4-[2-(5-methylheptoxy)phenyl]-5-nonylpyrimidine Traditional Name: 4-[2-(5-methylheptoxy)phenyl]-5-nonyl-pyrimidine Formula: C27H42N2O MolecularWeight: 410.63518

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC1=CN=CN=C1C2=CC=CC=C2OCCCCC(C)CC

Isomeric SMILES

CCCCCCCCCC1=CN=CN=C1C2=CC=CC=C2OCCCCC(C)CC

InChI

InChI=1S/C27H42N2O/c1-4-6-7-8-9-10-11-17-24-21-28-22-29-27(24)25-18-12-13-19-26(25)30-20-15-14-16-23(3)5-2/h12-13,18-19,21-23H,4-11,14-17,20H2,1-3H3