[3-(1H-benzimidazol-2-yl)-3-cyano-2-oxidanylidene-propyl] 3,4-diethoxybenzoate

Systemtic Name: [3-(1H-benzimidazol-2-yl)-3-cyano-2-oxidanylidene-propyl] 3,4-diethoxybenzoate Openeye Name: [3-(1H-benzimidazol-2-yl)-3-cyano-2-oxo-propyl] 3,4-diethoxybenzoate CAS Name: 3,4-diethoxybenzoic acid [3-(1H-benzimidazol-2-yl)-3-cyano-2-oxopropyl] ester IUPAC Name: [3-(1H-benzimidazol-2-yl)-3-cyano-2-oxopropyl] 3,4-diethoxybenzoate Traditional Name: 3,4-diethoxybenzoic acid [3-(1H-benzimidazol-2-yl)-3-cyano-2-keto-propyl] ester Formula: C22H21N3O5 MolecularWeight: 407.41924

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(=O)OCC(=O)C(C#N)C2=NC3=CC=CC=C3N2)OCC

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(=O)OCC(=O)C(C#N)C2=NC3=CC=CC=C3N2)OCC

InChI

InChI=1S/C22H21N3O5/c1-3-28-19-10-9-14(11-20(19)29-4-2)22(27)30-13-18(26)15(12-23)21-24-16-7-5-6-8-17(16)25-21/h5-11,15H,3-4,13H2,1-2H3,(H,24,25)