(1-morpholin-4-yl-1-oxidanylidene-propan-2-yl) 4-(2-cyanoethanoylamino)benzoate

Systemtic Name: (1-morpholin-4-yl-1-oxidanylidene-propan-2-yl) 4-(2-cyanoethanoylamino)benzoate Openeye Name: (1-methyl-2-morpholino-2-oxo-ethyl) 4-[(2-cyanoacetyl)amino]benzoate CAS Name: 4-[(2-cyano-1-oxoethyl)amino]benzoic acid [1-(4-morpholinyl)-1-oxopropan-2-yl] ester IUPAC Name: (1-morpholin-4-yl-1-oxopropan-2-yl) 4-[(2-cyanoacetyl)amino]benzoate Traditional Name: 4-[(2-cyanoacetyl)amino]benzoic acid (2-keto-1-methyl-2-morpholino-ethyl) ester Formula: C17H19N3O5 MolecularWeight: 345.34986

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCOCC1)OC(=O)C2=CC=C(C=C2)NC(=O)CC#N

Isomeric SMILES

CC(C(=O)N1CCOCC1)OC(=O)C2=CC=C(C=C2)NC(=O)CC#N

InChI

InChI=1S/C17H19N3O5/c1-12(16(22)20-8-10-24-11-9-20)25-17(23)13-2-4-14(5-3-13)19-15(21)6-7-18/h2-5,12H,6,8-11H2,1H3,(H,19,21)