4-[[4-(5-dodecylpyrimidin-2-yl)phenyl]methoxy]-2-fluoranyl-benzenecarbonitrile

Systemtic Name: 4-[[4-(5-dodecylpyrimidin-2-yl)phenyl]methoxy]-2-fluoranyl-benzenecarbonitrile Openeye Name: 4-[[4-(5-dodecylpyrimidin-2-yl)phenyl]methoxy]-2-fluoro-benzonitrile CAS Name: 4-[[4-(5-dodecyl-2-pyrimidinyl)phenyl]methoxy]-2-fluorobenzonitrile IUPAC Name: 4-[[4-(5-dodecylpyrimidin-2-yl)phenyl]methoxy]-2-fluorobenzonitrile Traditional Name: 2-fluoro-4-[4-(5-laurylpyrimidin-2-yl)benzyl]oxy-benzonitrile Formula: C30H36FN3O MolecularWeight: 473.624743

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)COC3=CC(=C(C=C3)C#N)F

Isomeric SMILES

CCCCCCCCCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)COC3=CC(=C(C=C3)C#N)F

InChI

InChI=1S/C30H36FN3O/c1-2-3-4-5-6-7-8-9-10-11-12-25-21-33-30(34-22-25)26-15-13-24(14-16-26)23-35-28-18-17-27(20-32)29(31)19-28/h13-19,21-22H,2-12,23H2,1H3