4-[(2-butan-2-ylphenoxy)methyl]-3-fluoranyl-benzenecarbonitrile

Systemtic Name: 4-[(2-butan-2-ylphenoxy)methyl]-3-fluoranyl-benzenecarbonitrile Openeye Name: 3-fluoro-4-[(2-sec-butylphenoxy)methyl]benzonitrile CAS Name: 4-[(2-butan-2-ylphenoxy)methyl]-3-fluorobenzonitrile IUPAC Name: 4-[(2-butan-2-ylphenoxy)methyl]-3-fluorobenzonitrile Traditional Name: 3-fluoro-4-[(2-sec-butylphenoxy)methyl]benzonitrile Formula: C18H18FNO MolecularWeight: 283.340023

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC=CC=C1OCC2=C(C=C(C=C2)C#N)F

Isomeric SMILES

CCC(C)C1=CC=CC=C1OCC2=C(C=C(C=C2)C#N)F

InChI

InChI=1S/C18H18FNO/c1-3-13(2)16-6-4-5-7-18(16)21-12-15-9-8-14(11-20)10-17(15)19/h4-10,13H,3,12H2,1-2H3