methyl 4-[2-(5-bromanyl-2-phenylmethoxy-phenyl)ethyl]benzoate

Systemtic Name: methyl 4-[2-(5-bromanyl-2-phenylmethoxy-phenyl)ethyl]benzoate Openeye Name: methyl 4-[2-(2-benzyloxy-5-bromo-phenyl)ethyl]benzoate CAS Name: 4-[2-(5-bromo-2-phenylmethoxyphenyl)ethyl]benzoic acid methyl ester IUPAC Name: methyl 4-[2-(5-bromo-2-phenylmethoxyphenyl)ethyl]benzoate Traditional Name: 4-[2-(2-benzoxy-5-bromo-phenyl)ethyl]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)CCC2=C(C=CC(=C2)Br)OCC3=CC=CC=C3

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)CCC2=C(C=CC(=C2)Br)OCC3=CC=CC=C3

InChI

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