[2-(2,6-dimethylmorpholin-4-yl)-2-oxidanylidene-ethyl] 4-(2-cyanoethanoylamino)benzoate

Systemtic Name: [2-(2,6-dimethylmorpholin-4-yl)-2-oxidanylidene-ethyl] 4-(2-cyanoethanoylamino)benzoate Openeye Name: [2-(2,6-dimethylmorpholin-4-yl)-2-oxo-ethyl] 4-[(2-cyanoacetyl)amino]benzoate CAS Name: 4-[(2-cyano-1-oxoethyl)amino]benzoic acid [2-(2,6-dimethyl-4-morpholinyl)-2-oxoethyl] ester IUPAC Name: [2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl] 4-[(2-cyanoacetyl)amino]benzoate Traditional Name: 4-[(2-cyanoacetyl)amino]benzoic acid [2-(2,6-dimethylmorpholino)-2-keto-ethyl] ester Formula: C18H21N3O5 MolecularWeight: 359.37644

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CC(O1)C)C(=O)COC(=O)C2=CC=C(C=C2)NC(=O)CC#N

Isomeric SMILES

CC1CN(CC(O1)C)C(=O)COC(=O)C2=CC=C(C=C2)NC(=O)CC#N

InChI

InChI=1S/C18H21N3O5/c1-12-9-21(10-13(2)26-12)17(23)11-25-18(24)14-3-5-15(6-4-14)20-16(22)7-8-19/h3-6,12-13H,7,9-11H2,1-2H3,(H,20,22)