4-[2-(6-methylheptoxy)phenyl]-5-octyl-pyrimidine

Systemtic Name: 4-[2-(6-methylheptoxy)phenyl]-5-octyl-pyrimidine Openeye Name: 4-[2-(6-methylheptoxy)phenyl]-5-octyl-pyrimidine CAS Name: 4-[2-(6-methylheptoxy)phenyl]-5-octylpyrimidine IUPAC Name: 4-[2-(6-methylheptoxy)phenyl]-5-octylpyrimidine Traditional Name: 4-[2-(6-methylheptoxy)phenyl]-5-octyl-pyrimidine Formula: C26H40N2O MolecularWeight: 396.6086

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=CN=CN=C1C2=CC=CC=C2OCCCCCC(C)C

Isomeric SMILES

CCCCCCCCC1=CN=CN=C1C2=CC=CC=C2OCCCCCC(C)C

InChI

InChI=1S/C26H40N2O/c1-4-5-6-7-8-11-16-23-20-27-21-28-26(23)24-17-12-13-18-25(24)29-19-14-9-10-15-22(2)3/h12-13,17-18,20-22H,4-11,14-16,19H2,1-3H3