ethyl 4-[2-[5-bromanyl-4-(hydroxymethyl)-2-methoxy-phenoxy]ethanoylamino]benzoate

Systemtic Name: ethyl 4-[2-[5-bromanyl-4-(hydroxymethyl)-2-methoxy-phenoxy]ethanoylamino]benzoate Openeye Name: ethyl 4-[[2-[5-bromo-4-(hydroxymethyl)-2-methoxy-phenoxy]acetyl]amino]benzoate CAS Name: 4-[[2-[5-bromo-4-(hydroxymethyl)-2-methoxyphenoxy]-1-oxoethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[2-[5-bromo-4-(hydroxymethyl)-2-methoxyphenoxy]acetyl]amino]benzoate Traditional Name: 4-[[2-(5-bromo-2-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(=C2)Br)CO)OC

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=O)COC2=C(C=C(C(=C2)Br)CO)OC

InChI

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