methyl 2-[[4-[2-(2-bromanyl-4-cyano-6-ethoxy-phenoxy)ethanoylamino]phenyl]carbonylamino]ethanoate

Systemtic Name: methyl 2-[[4-[2-(2-bromanyl-4-cyano-6-ethoxy-phenoxy)ethanoylamino]phenyl]carbonylamino]ethanoate Openeye Name: methyl 2-[[4-[[2-(2-bromo-4-cyano-6-ethoxy-phenoxy)acetyl]amino]benzoyl]amino]acetate CAS Name: 2-[[[4-[[2-(2-bromo-4-cyano-6-ethoxyphenoxy)-1-oxoethyl]amino]phenyl]-oxomethyl]amino]acetic acid methyl ester IUPAC Name: methyl 2-[[4-[[2-(2-bromo-4-cyano-6-ethoxyphenoxy)acetyl]amino]benzoyl]amino]acetate Traditional Name: 2-[[4-[[2-(2-bromo-4-cyano-6-ethoxy-phenoxy)acetyl]amino]benzoyl]amino]acetic acid methyl ester Formula: C21H20BrN3O6 MolecularWeight: 490.304

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=CC(=C1)C#N)Br)OCC(=O)NC2=CC=C(C=C2)C(=O)NCC(=O)OC

Isomeric SMILES

CCOC1=C(C(=CC(=C1)C#N)Br)OCC(=O)NC2=CC=C(C=C2)C(=O)NCC(=O)OC

InChI

InChI=1S/C21H20BrN3O6/c1-3-30-17-9-13(10-23)8-16(22)20(17)31-12-18(26)25-15-6-4-14(5-7-15)21(28)24-11-19(27)29-2/h4-9H,3,11-12H2,1-2H3,(H,24,28)(H,25,26)