methyl 4-[[2-[4-bromanyl-2-(hydroxymethyl)phenoxy]ethanoylamino]methyl]benzoate

Systemtic Name: methyl 4-[[2-[4-bromanyl-2-(hydroxymethyl)phenoxy]ethanoylamino]methyl]benzoate Openeye Name: methyl 4-[[[2-[4-bromo-2-(hydroxymethyl)phenoxy]acetyl]amino]methyl]benzoate CAS Name: 4-[[[2-[4-bromo-2-(hydroxymethyl)phenoxy]-1-oxoethyl]amino]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[[2-[4-bromo-2-(hydroxymethyl)phenoxy]acetyl]amino]methyl]benzoate Traditional Name: 4-[[[2-(4-bromo-2-methylol-phenoxy)acetyl]amino]methyl]benzoic acid methyl ester Formula: C18H18BrNO5 MolecularWeight: 408.24322

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)CNC(=O)COC2=C(C=C(C=C2)Br)CO

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)CNC(=O)COC2=C(C=C(C=C2)Br)CO

InChI

InChI=1S/C18H18BrNO5/c1-24-18(23)13-4-2-12(3-5-13)9-20-17(22)11-25-16-7-6-15(19)8-14(16)10-21/h2-8,21H,9-11H2,1H3,(H,20,22)