propyl 4-[2-(2-bromanyl-4-cyano-6-ethoxy-phenoxy)ethanoylamino]benzoate

Systemtic Name: propyl 4-[2-(2-bromanyl-4-cyano-6-ethoxy-phenoxy)ethanoylamino]benzoate Openeye Name: propyl 4-[[2-(2-bromo-4-cyano-6-ethoxy-phenoxy)acetyl]amino]benzoate CAS Name: 4-[[2-(2-bromo-4-cyano-6-ethoxyphenoxy)-1-oxoethyl]amino]benzoic acid propyl ester IUPAC Name: propyl 4-[[2-(2-bromo-4-cyano-6-ethoxyphenoxy)acetyl]amino]benzoate Traditional Name: 4-[[2-(2-bromo-4-cyano-6-ethoxy-phenoxy)acetyl]amino]benzoic acid propyl ester Formula: C21H21BrN2O5 MolecularWeight: 461.30584

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCOC(=O)C1=CC=C(C=C1)NC(=O)COC2=C(C=C(C=C2Br)C#N)OCC

Isomeric SMILES

CCCOC(=O)C1=CC=C(C=C1)NC(=O)COC2=C(C=C(C=C2Br)C#N)OCC

InChI

InChI=1S/C21H21BrN2O5/c1-3-9-28-21(26)15-5-7-16(8-6-15)24-19(25)13-29-20-17(22)10-14(12-23)11-18(20)27-4-2/h5-8,10-11H,3-4,9,13H2,1-2H3,(H,24,25)