2-[4-(3-methylheptoxy)phenyl]-5-undecoxy-pyrimidine

Systemtic Name: 2-[4-(3-methylheptoxy)phenyl]-5-undecoxy-pyrimidine Openeye Name: 2-[4-(3-methylheptoxy)phenyl]-5-undecoxy-pyrimidine CAS Name: 2-[4-(3-methylheptoxy)phenyl]-5-undecoxypyrimidine IUPAC Name: 2-[4-(3-methylheptoxy)phenyl]-5-undecoxypyrimidine Traditional Name: 2-[4-(3-methylheptoxy)phenyl]-5-undecoxy-pyrimidine Formula: C29H46N2O2 MolecularWeight: 454.68774

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCOC1=CN=C(N=C1)C2=CC=C(C=C2)OCCC(C)CCCC

Isomeric SMILES

CCCCCCCCCCCOC1=CN=C(N=C1)C2=CC=C(C=C2)OCCC(C)CCCC

InChI

InChI=1S/C29H46N2O2/c1-4-6-8-9-10-11-12-13-14-21-32-28-23-30-29(31-24-28)26-16-18-27(19-17-26)33-22-20-25(3)15-7-5-2/h16-19,23-25H,4-15,20-22H2,1-3H3