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

Systemtic Name: (2-bromanyl-4-cyano-6-ethoxy-phenyl) 3-(2-oxidanylidene-3-propyl-benzimidazol-1-yl)propanoate Openeye Name: (2-bromo-4-cyano-6-ethoxy-phenyl) 3-(2-oxo-3-propyl-benzimidazol-1-yl)propanoate CAS Name: 3-(2-oxo-3-propyl-1-benzimidazolyl)propanoic acid (2-bromo-4-cyano-6-ethoxyphenyl) ester IUPAC Name: (2-bromo-4-cyano-6-ethoxyphenyl) 3-(2-oxo-3-propylbenzimidazol-1-yl)propanoate Traditional Name: 3-(2-keto-3-propyl-benzimidazol-1-yl)propionic acid (2-bromo-4-cyano-6-ethoxy-phenyl) ester Formula: C22H22BrN3O4 MolecularWeight: 472.33178

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H22BrN3O4/c1-3-10-25-17-7-5-6-8-18(17)26(22(25)28)11-9-20(27)30-21-16(23)12-15(14-24)13-19(21)29-4-2/h5-8,12-13H,3-4,9-11H2,1-2H3