[(1R)-2-morpholin-4-yl-2-oxidanylidene-1-phenyl-ethyl] 4-(2-cyanoethanoylamino)benzoate

Systemtic Name: [(1R)-2-morpholin-4-yl-2-oxidanylidene-1-phenyl-ethyl] 4-(2-cyanoethanoylamino)benzoate Openeye Name: [(1R)-2-morpholino-2-oxo-1-phenyl-ethyl] 4-[(2-cyanoacetyl)amino]benzoate CAS Name: 4-[(2-cyano-1-oxoethyl)amino]benzoic acid [(1R)-2-(4-morpholinyl)-2-oxo-1-phenylethyl] ester IUPAC Name: [(1R)-2-morpholin-4-yl-2-oxo-1-phenylethyl] 4-[(2-cyanoacetyl)amino]benzoate Traditional Name: 4-[(2-cyanoacetyl)amino]benzoic acid [(1R)-2-keto-2-morpholino-1-phenyl-ethyl] ester Formula: C22H21N3O5 MolecularWeight: 407.41924

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C(=O)C(C2=CC=CC=C2)OC(=O)C3=CC=C(C=C3)NC(=O)CC#N

Isomeric SMILES

C1COCCN1C(=O)[C@@H](C2=CC=CC=C2)OC(=O)C3=CC=C(C=C3)NC(=O)CC#N

InChI

InChI=1S/C22H21N3O5/c23-11-10-19(26)24-18-8-6-17(7-9-18)22(28)30-20(16-4-2-1-3-5-16)21(27)25-12-14-29-15-13-25/h1-9,20H,10,12-15H2,(H,24,26)/t20-/m1/s1