tert-butyl 4-[[2-(bromomethyl)-6-phenethyl-phenoxy]methyl]benzoate

Systemtic Name: tert-butyl 4-[[2-(bromomethyl)-6-phenethyl-phenoxy]methyl]benzoate Openeye Name: tert-butyl 4-[[2-(bromomethyl)-6-phenethyl-phenoxy]methyl]benzoate CAS Name: 4-[[2-(bromomethyl)-6-phenethylphenoxy]methyl]benzoic acid tert-butyl ester IUPAC Name: tert-butyl 4-[[2-(bromomethyl)-6-phenethylphenoxy]methyl]benzoate Traditional Name: 4-[[2-(bromomethyl)-6-phenethyl-phenoxy]methyl]benzoic acid tert-butyl ester Formula: C27H29BrO3 MolecularWeight: 481.42136

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C1=CC=C(C=C1)COC2=C(C=CC=C2CBr)CCC3=CC=CC=C3

Isomeric SMILES

CC(C)(C)OC(=O)C1=CC=C(C=C1)COC2=C(C=CC=C2CBr)CCC3=CC=CC=C3

InChI

InChI=1S/C27H29BrO3/c1-27(2,3)31-26(29)23-16-13-21(14-17-23)19-30-25-22(10-7-11-24(25)18-28)15-12-20-8-5-4-6-9-20/h4-11,13-14,16-17H,12,15,18-19H2,1-3H3