ethyl 3-[[2-(2-bromanylethanoylamino)-5-[(4-cyanophenyl)methoxy]phenyl]carbonylamino]propanoate

Systemtic Name: ethyl 3-[[2-(2-bromanylethanoylamino)-5-[(4-cyanophenyl)methoxy]phenyl]carbonylamino]propanoate Openeye Name: ethyl 3-[[2-[(2-bromoacetyl)amino]-5-[(4-cyanophenyl)methoxy]benzoyl]amino]propanoate CAS Name: 3-[[[2-[(2-bromo-1-oxoethyl)amino]-5-[(4-cyanophenyl)methoxy]phenyl]-oxomethyl]amino]propanoic acid ethyl ester IUPAC Name: ethyl 3-[[2-[(2-bromoacetyl)amino]-5-[(4-cyanophenyl)methoxy]benzoyl]amino]propanoate Traditional Name: 3-[[2-[(2-bromoacetyl)amino]-5-(4-cyanobenzyl)oxy-benzoyl]amino]propionic acid ethyl ester Formula: C22H22BrN3O5 MolecularWeight: 488.33118

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCNC(=O)C1=C(C=CC(=C1)OCC2=CC=C(C=C2)C#N)NC(=O)CBr

Isomeric SMILES

CCOC(=O)CCNC(=O)C1=C(C=CC(=C1)OCC2=CC=C(C=C2)C#N)NC(=O)CBr

InChI

InChI=1S/C22H22BrN3O5/c1-2-30-21(28)9-10-25-22(29)18-11-17(7-8-19(18)26-20(27)12-23)31-14-16-5-3-15(13-24)4-6-16/h3-8,11H,2,9-10,12,14H2,1H3,(H,25,29)(H,26,27)