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

Systemtic Name: 2-[4-(6-methyldecoxy)phenyl]-5-octyl-pyrimidine Openeye Name: 2-[4-(6-methyldecoxy)phenyl]-5-octyl-pyrimidine CAS Name: 2-[4-(6-methyldecoxy)phenyl]-5-octylpyrimidine IUPAC Name: 2-[4-(6-methyldecoxy)phenyl]-5-octylpyrimidine Traditional Name: 2-[4-(6-methyldecoxy)phenyl]-5-octyl-pyrimidine Formula: C29H46N2O MolecularWeight: 438.68834

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)OCCCCCC(C)CCCC

Isomeric SMILES

CCCCCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)OCCCCCC(C)CCCC

InChI

InChI=1S/C29H46N2O/c1-4-6-8-9-10-13-17-26-23-30-29(31-24-26)27-18-20-28(21-19-27)32-22-14-11-12-16-25(3)15-7-5-2/h18-21,23-25H,4-17,22H2,1-3H3