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

Systemtic Name: ethyl 4-[2-[5-bromanyl-2-ethoxy-4-(hydroxymethyl)phenoxy]ethanoylamino]benzoate Openeye Name: ethyl 4-[[2-[5-bromo-2-ethoxy-4-(hydroxymethyl)phenoxy]acetyl]amino]benzoate CAS Name: 4-[[2-[5-bromo-2-ethoxy-4-(hydroxymethyl)phenoxy]-1-oxoethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[2-[5-bromo-2-ethoxy-4-(hydroxymethyl)phenoxy]acetyl]amino]benzoate Traditional Name: 4-[[2-(5-bromo-2-ethoxy-4-methylol-phenoxy)acetyl]amino]benzoic acid ethyl ester Formula: C20H22BrNO6 MolecularWeight: 452.29578

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C(=C1)CO)Br)OCC(=O)NC2=CC=C(C=C2)C(=O)OCC

Isomeric SMILES

CCOC1=C(C=C(C(=C1)CO)Br)OCC(=O)NC2=CC=C(C=C2)C(=O)OCC

InChI

InChI=1S/C20H22BrNO6/c1-3-26-17-9-14(11-23)16(21)10-18(17)28-12-19(24)22-15-7-5-13(6-8-15)20(25)27-4-2/h5-10,23H,3-4,11-12H2,1-2H3,(H,22,24)