[3-(1H-benzimidazol-2-yl)-3-cyano-2-oxidanylidene-propyl] 2-(2,6-dimethylphenoxy)ethanoate

Systemtic Name: [3-(1H-benzimidazol-2-yl)-3-cyano-2-oxidanylidene-propyl] 2-(2,6-dimethylphenoxy)ethanoate Openeye Name: [3-(1H-benzimidazol-2-yl)-3-cyano-2-oxo-propyl] 2-(2,6-dimethylphenoxy)acetate CAS Name: 2-(2,6-dimethylphenoxy)acetic acid [3-(1H-benzimidazol-2-yl)-3-cyano-2-oxopropyl] ester IUPAC Name: [3-(1H-benzimidazol-2-yl)-3-cyano-2-oxopropyl] 2-(2,6-dimethylphenoxy)acetate Traditional Name: 2-(2,6-dimethylphenoxy)acetic acid [3-(1H-benzimidazol-2-yl)-3-cyano-2-keto-propyl] ester Formula: C21H19N3O4 MolecularWeight: 377.39326

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)OCC(=O)OCC(=O)C(C#N)C2=NC3=CC=CC=C3N2

Isomeric SMILES

CC1=C(C(=CC=C1)C)OCC(=O)OCC(=O)C(C#N)C2=NC3=CC=CC=C3N2

InChI

InChI=1S/C21H19N3O4/c1-13-6-5-7-14(2)20(13)28-12-19(26)27-11-18(25)15(10-22)21-23-16-8-3-4-9-17(16)24-21/h3-9,15H,11-12H2,1-2H3,(H,23,24)