4-[(4-bromanyl-2-phenethyl-phenoxy)methyl]benzenecarbonitrile

Systemtic Name: 4-[(4-bromanyl-2-phenethyl-phenoxy)methyl]benzenecarbonitrile Openeye Name: 4-[(4-bromo-2-phenethyl-phenoxy)methyl]benzonitrile CAS Name: 4-[(4-bromo-2-phenethylphenoxy)methyl]benzonitrile IUPAC Name: 4-[(4-bromo-2-phenethylphenoxy)methyl]benzonitrile Traditional Name: 4-[(4-bromo-2-phenethyl-phenoxy)methyl]benzonitrile Formula: C22H18BrNO MolecularWeight: 392.28842

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCC2=C(C=CC(=C2)Br)OCC3=CC=C(C=C3)C#N

Isomeric SMILES

C1=CC=C(C=C1)CCC2=C(C=CC(=C2)Br)OCC3=CC=C(C=C3)C#N

InChI

InChI=1S/C22H18BrNO/c23-21-12-13-22(25-16-19-8-6-18(15-24)7-9-19)20(14-21)11-10-17-4-2-1-3-5-17/h1-9,12-14H,10-11,16H2