(4-bromanyl-2-fluoranyl-phenyl)methyl 2-(phenoxymethyl)benzoate

Systemtic Name: (4-bromanyl-2-fluoranyl-phenyl)methyl 2-(phenoxymethyl)benzoate Openeye Name: (4-bromo-2-fluoro-phenyl)methyl 2-(phenoxymethyl)benzoate CAS Name: 2-(phenoxymethyl)benzoic acid (4-bromo-2-fluorophenyl)methyl ester IUPAC Name: (4-bromo-2-fluorophenyl)methyl 2-(phenoxymethyl)benzoate Traditional Name: 2-(phenoxymethyl)benzoic acid (4-bromo-2-fluoro-benzyl) ester Formula: C21H16BrFO3 MolecularWeight: 415.252343

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OCC2=CC=CC=C2C(=O)OCC3=C(C=C(C=C3)Br)F

Isomeric SMILES

C1=CC=C(C=C1)OCC2=CC=CC=C2C(=O)OCC3=C(C=C(C=C3)Br)F

InChI

InChI=1S/C21H16BrFO3/c22-17-11-10-16(20(23)12-17)14-26-21(24)19-9-5-4-6-15(19)13-25-18-7-2-1-3-8-18/h1-12H,13-14H2