ethyl 4-[2-[2-bromanyl-4-(hydroxymethyl)-6-methoxy-phenoxy]ethanoylamino]benzoate

Systemtic Name: ethyl 4-[2-[2-bromanyl-4-(hydroxymethyl)-6-methoxy-phenoxy]ethanoylamino]benzoate Openeye Name: ethyl 4-[[2-[2-bromo-4-(hydroxymethyl)-6-methoxy-phenoxy]acetyl]amino]benzoate CAS Name: 4-[[2-[2-bromo-4-(hydroxymethyl)-6-methoxyphenoxy]-1-oxoethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[2-[2-bromo-4-(hydroxymethyl)-6-methoxyphenoxy]acetyl]amino]benzoate Traditional Name: 4-[[2-(2-bromo-6-methoxy-4-methylol-phenoxy)acetyl]amino]benzoic acid ethyl ester Formula: C19H20BrNO6 MolecularWeight: 438.2692

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=O)COC2=C(C=C(C=C2Br)CO)OC

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=O)COC2=C(C=C(C=C2Br)CO)OC

InChI

InChI=1S/C19H20BrNO6/c1-3-26-19(24)13-4-6-14(7-5-13)21-17(23)11-27-18-15(20)8-12(10-22)9-16(18)25-2/h4-9,22H,3,10-11H2,1-2H3,(H,21,23)