2-[4-(9-fluoranylundecyl)phenyl]-5-octoxy-pyrimidine

Systemtic Name: 2-[4-(9-fluoranylundecyl)phenyl]-5-octoxy-pyrimidine Openeye Name: 2-[4-(9-fluoroundecyl)phenyl]-5-octoxy-pyrimidine CAS Name: 2-[4-(9-fluoroundecyl)phenyl]-5-octoxypyrimidine IUPAC Name: 2-[4-(9-fluoroundecyl)phenyl]-5-octoxypyrimidine Traditional Name: 2-[4-(9-fluoroundecyl)phenyl]-5-octoxy-pyrimidine Formula: C29H45FN2O MolecularWeight: 456.678803

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=CN=C(N=C1)C2=CC=C(C=C2)CCCCCCCCC(CC)F

Isomeric SMILES

CCCCCCCCOC1=CN=C(N=C1)C2=CC=C(C=C2)CCCCCCCCC(CC)F

InChI

InChI=1S/C29H45FN2O/c1-3-5-6-7-12-15-22-33-28-23-31-29(32-24-28)26-20-18-25(19-21-26)16-13-10-8-9-11-14-17-27(30)4-2/h18-21,23-24,27H,3-17,22H2,1-2H3