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

Systemtic Name: methyl 4-[(4-bromanyl-2-phenethyl-phenoxy)methyl]benzoate Openeye Name: methyl 4-[(4-bromo-2-phenethyl-phenoxy)methyl]benzoate CAS Name: 4-[(4-bromo-2-phenethylphenoxy)methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[(4-bromo-2-phenethylphenoxy)methyl]benzoate Traditional Name: 4-[(4-bromo-2-phenethyl-phenoxy)methyl]benzoic acid methyl ester Formula: C23H21BrO3 MolecularWeight: 425.31504

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)COC2=C(C=C(C=C2)Br)CCC3=CC=CC=C3

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)COC2=C(C=C(C=C2)Br)CCC3=CC=CC=C3

InChI

InChI=1S/C23H21BrO3/c1-26-23(25)19-10-8-18(9-11-19)16-27-22-14-13-21(24)15-20(22)12-7-17-5-3-2-4-6-17/h2-6,8-11,13-15H,7,12,16H2,1H3