(2-bromanyl-4-cyano-6-ethoxy-phenyl) 2-(2-oxidanylidene-3-propyl-benzimidazol-1-yl)ethanoate

Systemtic Name: (2-bromanyl-4-cyano-6-ethoxy-phenyl) 2-(2-oxidanylidene-3-propyl-benzimidazol-1-yl)ethanoate Openeye Name: (2-bromo-4-cyano-6-ethoxy-phenyl) 2-(2-oxo-3-propyl-benzimidazol-1-yl)acetate CAS Name: 2-(2-oxo-3-propyl-1-benzimidazolyl)acetic acid (2-bromo-4-cyano-6-ethoxyphenyl) ester IUPAC Name: (2-bromo-4-cyano-6-ethoxyphenyl) 2-(2-oxo-3-propylbenzimidazol-1-yl)acetate Traditional Name: 2-(2-keto-3-propyl-benzimidazol-1-yl)acetic acid (2-bromo-4-cyano-6-ethoxy-phenyl) ester Formula: C21H20BrN3O4 MolecularWeight: 458.3052

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=CC=CC=C2N(C1=O)CC(=O)OC3=C(C=C(C=C3Br)C#N)OCC

Isomeric SMILES

CCCN1C2=CC=CC=C2N(C1=O)CC(=O)OC3=C(C=C(C=C3Br)C#N)OCC

InChI

InChI=1S/C21H20BrN3O4/c1-3-9-24-16-7-5-6-8-17(16)25(21(24)27)13-19(26)29-20-15(22)10-14(12-23)11-18(20)28-4-2/h5-8,10-11H,3-4,9,13H2,1-2H3