[3-cyano-3-(1,3-dimethylbenzimidazol-2-ylidene)-2-oxidanylidene-propyl] 2-(2-phenylethanoylamino)ethanoate

Systemtic Name: [3-cyano-3-(1,3-dimethylbenzimidazol-2-ylidene)-2-oxidanylidene-propyl] 2-(2-phenylethanoylamino)ethanoate Openeye Name: [3-cyano-3-(1,3-dimethylbenzimidazol-2-ylidene)-2-oxo-propyl] 2-[(2-phenylacetyl)amino]acetate CAS Name: 2-[(1-oxo-2-phenylethyl)amino]acetic acid [3-cyano-3-(1,3-dimethyl-2-benzimidazolylidene)-2-oxopropyl] ester IUPAC Name: [3-cyano-3-(1,3-dimethylbenzimidazol-2-ylidene)-2-oxopropyl] 2-[(2-phenylacetyl)amino]acetate Traditional Name: 2-[(2-phenylacetyl)amino]acetic acid [3-cyano-3-(1,3-dimethylbenzimidazol-2-ylidene)-2-keto-propyl] ester Formula: C23H22N4O4 MolecularWeight: 418.44518

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=CC=C2N(C1=C(C#N)C(=O)COC(=O)CNC(=O)CC3=CC=CC=C3)C

Isomeric SMILES

CN1C2=CC=CC=C2N(C1=C(C#N)C(=O)COC(=O)CNC(=O)CC3=CC=CC=C3)C

InChI

InChI=1S/C23H22N4O4/c1-26-18-10-6-7-11-19(18)27(2)23(26)17(13-24)20(28)15-31-22(30)14-25-21(29)12-16-8-4-3-5-9-16/h3-11H,12,14-15H2,1-2H3,(H,25,29)