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

Systemtic Name: 2-[4-(6-butoxyheptoxy)phenyl]-5-octyl-pyrimidine Openeye Name: 2-[4-(6-butoxyheptoxy)phenyl]-5-octyl-pyrimidine CAS Name: 2-[4-(6-butoxyheptoxy)phenyl]-5-octylpyrimidine IUPAC Name: 2-[4-(6-butoxyheptoxy)phenyl]-5-octylpyrimidine Traditional Name: 2-[4-(6-butoxyheptoxy)phenyl]-5-octyl-pyrimidine Formula: C29H46N2O2 MolecularWeight: 454.68774

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H46N2O2/c1-4-6-8-9-10-13-16-26-23-30-29(31-24-26)27-17-19-28(20-18-27)33-22-14-11-12-15-25(3)32-21-7-5-2/h17-20,23-25H,4-16,21-22H2,1-3H3