[2-(2-methylpropylcarbamoylamino)-2-oxidanylidene-ethyl] 4-(2-cyanoethanoylamino)benzoate

Systemtic Name: [2-(2-methylpropylcarbamoylamino)-2-oxidanylidene-ethyl] 4-(2-cyanoethanoylamino)benzoate Openeye Name: [2-(isobutylcarbamoylamino)-2-oxo-ethyl] 4-[(2-cyanoacetyl)amino]benzoate CAS Name: 4-[(2-cyano-1-oxoethyl)amino]benzoic acid [2-[[(2-methylpropylamino)-oxomethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-(2-methylpropylcarbamoylamino)-2-oxoethyl] 4-[(2-cyanoacetyl)amino]benzoate Traditional Name: 4-[(2-cyanoacetyl)amino]benzoic acid [2-(isobutylcarbamoylamino)-2-keto-ethyl] ester Formula: C17H20N4O5 MolecularWeight: 360.3645

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H20N4O5/c1-11(2)9-19-17(25)21-15(23)10-26-16(24)12-3-5-13(6-4-12)20-14(22)7-8-18/h3-6,11H,7,9-10H2,1-2H3,(H,20,22)(H2,19,21,23,25)