[3-(1H-benzimidazol-2-yl)-3-cyano-2-oxidanylidene-propyl] 4-(diethylamino)benzoate

Systemtic Name: [3-(1H-benzimidazol-2-yl)-3-cyano-2-oxidanylidene-propyl] 4-(diethylamino)benzoate Openeye Name: [3-(1H-benzimidazol-2-yl)-3-cyano-2-oxo-propyl] 4-(diethylamino)benzoate CAS Name: 4-(diethylamino)benzoic acid [3-(1H-benzimidazol-2-yl)-3-cyano-2-oxopropyl] ester IUPAC Name: [3-(1H-benzimidazol-2-yl)-3-cyano-2-oxopropyl] 4-(diethylamino)benzoate Traditional Name: 4-(diethylamino)benzoic acid [3-(1H-benzimidazol-2-yl)-3-cyano-2-keto-propyl] ester Formula: C22H22N4O3 MolecularWeight: 390.43508

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H22N4O3/c1-3-26(4-2)16-11-9-15(10-12-16)22(28)29-14-20(27)17(13-23)21-24-18-7-5-6-8-19(18)25-21/h5-12,17H,3-4,14H2,1-2H3,(H,24,25)