methyl 4-[[2-[4-(2-cyanoethanoylamino)phenyl]carbonyloxyethanoylamino]methyl]benzoate

Systemtic Name: methyl 4-[[2-[4-(2-cyanoethanoylamino)phenyl]carbonyloxyethanoylamino]methyl]benzoate Openeye Name: methyl 4-[[[2-[4-[(2-cyanoacetyl)amino]benzoyl]oxyacetyl]amino]methyl]benzoate CAS Name: 4-[[[2-[[4-[(2-cyano-1-oxoethyl)amino]phenyl]-oxomethoxy]-1-oxoethyl]amino]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[[2-[4-[(2-cyanoacetyl)amino]benzoyl]oxyacetyl]amino]methyl]benzoate Traditional Name: 4-[[[2-[4-[(2-cyanoacetyl)amino]benzoyl]oxyacetyl]amino]methyl]benzoic acid methyl ester Formula: C21H19N3O6 MolecularWeight: 409.39206

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)CNC(=O)COC(=O)C2=CC=C(C=C2)NC(=O)CC#N

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)CNC(=O)COC(=O)C2=CC=C(C=C2)NC(=O)CC#N

InChI

InChI=1S/C21H19N3O6/c1-29-20(27)15-4-2-14(3-5-15)12-23-19(26)13-30-21(28)16-6-8-17(9-7-16)24-18(25)10-11-22/h2-9H,10,12-13H2,1H3,(H,23,26)(H,24,25)