2-[4-(3-fluoranyl-5-methyl-octoxy)phenyl]-5-octyl-pyrimidine

Systemtic Name: 2-[4-(3-fluoranyl-5-methyl-octoxy)phenyl]-5-octyl-pyrimidine Openeye Name: 2-[4-(3-fluoro-5-methyl-octoxy)phenyl]-5-octyl-pyrimidine CAS Name: 2-[4-(3-fluoro-5-methyloctoxy)phenyl]-5-octylpyrimidine IUPAC Name: 2-[4-(3-fluoro-5-methyloctoxy)phenyl]-5-octylpyrimidine Traditional Name: 2-[4-(3-fluoro-5-methyl-octoxy)phenyl]-5-octyl-pyrimidine Formula: C27H41FN2O MolecularWeight: 428.625643

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)OCCC(CC(C)CCC)F

Isomeric SMILES

CCCCCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)OCCC(CC(C)CCC)F

InChI

InChI=1S/C27H41FN2O/c1-4-6-7-8-9-10-12-23-20-29-27(30-21-23)24-13-15-26(16-14-24)31-18-17-25(28)19-22(3)11-5-2/h13-16,20-22,25H,4-12,17-19H2,1-3H3