methyl 3-[2-[4-(2-cyanoethanoylamino)phenyl]carbonyloxyethanoylamino]-4-methyl-benzoate

Systemtic Name: methyl 3-[2-[4-(2-cyanoethanoylamino)phenyl]carbonyloxyethanoylamino]-4-methyl-benzoate Openeye Name: methyl 3-[[2-[4-[(2-cyanoacetyl)amino]benzoyl]oxyacetyl]amino]-4-methyl-benzoate CAS Name: 3-[[2-[[4-[(2-cyano-1-oxoethyl)amino]phenyl]-oxomethoxy]-1-oxoethyl]amino]-4-methylbenzoic acid methyl ester IUPAC Name: methyl 3-[[2-[4-[(2-cyanoacetyl)amino]benzoyl]oxyacetyl]amino]-4-methylbenzoate Traditional Name: 3-[[2-[4-[(2-cyanoacetyl)amino]benzoyl]oxyacetyl]amino]-4-methyl-benzoic acid methyl ester Formula: C21H19N3O6 MolecularWeight: 409.39206

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)OC)NC(=O)COC(=O)C2=CC=C(C=C2)NC(=O)CC#N

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)OC)NC(=O)COC(=O)C2=CC=C(C=C2)NC(=O)CC#N

InChI

InChI=1S/C21H19N3O6/c1-13-3-4-15(20(27)29-2)11-17(13)24-19(26)12-30-21(28)14-5-7-16(8-6-14)23-18(25)9-10-22/h3-8,11H,9,12H2,1-2H3,(H,23,25)(H,24,26)