[3-(1H-benzimidazol-2-yl)-3-cyano-2-oxidanylidene-propyl] 2-(2-methoxyphenoxy)ethanoate

Systemtic Name: [3-(1H-benzimidazol-2-yl)-3-cyano-2-oxidanylidene-propyl] 2-(2-methoxyphenoxy)ethanoate Openeye Name: [3-(1H-benzimidazol-2-yl)-3-cyano-2-oxo-propyl] 2-(2-methoxyphenoxy)acetate CAS Name: 2-(2-methoxyphenoxy)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-methoxyphenoxy)acetate Traditional Name: 2-(2-methoxyphenoxy)acetic acid [3-(1H-benzimidazol-2-yl)-3-cyano-2-keto-propyl] ester Formula: C20H17N3O5 MolecularWeight: 379.36608

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1OCC(=O)OCC(=O)C(C#N)C2=NC3=CC=CC=C3N2

Isomeric SMILES

COC1=CC=CC=C1OCC(=O)OCC(=O)C(C#N)C2=NC3=CC=CC=C3N2

InChI

InChI=1S/C20H17N3O5/c1-26-17-8-4-5-9-18(17)27-12-19(25)28-11-16(24)13(10-21)20-22-14-6-2-3-7-15(14)23-20/h2-9,13H,11-12H2,1H3,(H,22,23)