[(2S)-1-oxidanylidene-1-(3-oxidanylidene-2,4-dihydroquinoxalin-1-yl)propan-2-yl] (2R)-2-(4-cyanophenoxy)propanoate

Systemtic Name: [(2S)-1-oxidanylidene-1-(3-oxidanylidene-2,4-dihydroquinoxalin-1-yl)propan-2-yl] (2R)-2-(4-cyanophenoxy)propanoate Openeye Name: [(1S)-1-methyl-2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] (2R)-2-(4-cyanophenoxy)propanoate CAS Name: (2R)-2-(4-cyanophenoxy)propanoic acid [(2S)-1-oxo-1-(3-oxo-2,4-dihydroquinoxalin-1-yl)propan-2-yl] ester IUPAC Name: [(2S)-1-oxo-1-(3-oxo-2,4-dihydroquinoxalin-1-yl)propan-2-yl] (2R)-2-(4-cyanophenoxy)propanoate Traditional Name: (2R)-2-(4-cyanophenoxy)propionic acid [(1S)-2-keto-2-(3-keto-2,4-dihydroquinoxalin-1-yl)-1-methyl-ethyl] ester Formula: C21H19N3O5 MolecularWeight: 393.39266

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CC(=O)NC2=CC=CC=C21)OC(=O)C(C)OC3=CC=C(C=C3)C#N

Isomeric SMILES

C[C@@H](C(=O)N1CC(=O)NC2=CC=CC=C21)OC(=O)[C@@H](C)OC3=CC=C(C=C3)C#N

InChI

InChI=1S/C21H19N3O5/c1-13(20(26)24-12-19(25)23-17-5-3-4-6-18(17)24)29-21(27)14(2)28-16-9-7-15(11-22)8-10-16/h3-10,13-14H,12H2,1-2H3,(H,23,25)/t13-,14+/m0/s1