[3-cyano-3-(1,3-dihydrobenzimidazol-2-ylidene)-2-oxidanylidene-propyl] (2R)-2-(2-phenoxyethanoylamino)propanoate

Systemtic Name: [3-cyano-3-(1,3-dihydrobenzimidazol-2-ylidene)-2-oxidanylidene-propyl] (2R)-2-(2-phenoxyethanoylamino)propanoate Openeye Name: [3-cyano-3-(1,3-dihydrobenzimidazol-2-ylidene)-2-oxo-propyl] (2R)-2-[(2-phenoxyacetyl)amino]propanoate CAS Name: (2R)-2-[(1-oxo-2-phenoxyethyl)amino]propanoic acid [3-cyano-3-(1,3-dihydrobenzimidazol-2-ylidene)-2-oxopropyl] ester IUPAC Name: [3-cyano-3-(1,3-dihydrobenzimidazol-2-ylidene)-2-oxopropyl] (2R)-2-[(2-phenoxyacetyl)amino]propanoate Traditional Name: (2R)-2-[(2-phenoxyacetyl)amino]propionic acid [3-cyano-3-(1,3-dihydrobenzimidazol-2-ylidene)-2-keto-propyl] ester Formula: C22H20N4O5 MolecularWeight: 420.418

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OCC(=O)C(=C1NC2=CC=CC=C2N1)C#N)NC(=O)COC3=CC=CC=C3

Isomeric SMILES

C[C@H](C(=O)OCC(=O)C(=C1NC2=CC=CC=C2N1)C#N)NC(=O)COC3=CC=CC=C3

InChI

InChI=1S/C22H20N4O5/c1-14(24-20(28)13-30-15-7-3-2-4-8-15)22(29)31-12-19(27)16(11-23)21-25-17-9-5-6-10-18(17)26-21/h2-10,14,25-26H,12-13H2,1H3,(H,24,28)/t14-/m1/s1