[2-[(1-cyanocyclopentyl)amino]-2-oxidanylidene-ethyl] 4-(benzimidazol-1-yl)benzoate

Systemtic Name: [2-[(1-cyanocyclopentyl)amino]-2-oxidanylidene-ethyl] 4-(benzimidazol-1-yl)benzoate Openeye Name: [2-[(1-cyanocyclopentyl)amino]-2-oxo-ethyl] 4-(benzimidazol-1-yl)benzoate CAS Name: 4-(1-benzimidazolyl)benzoic acid [2-[(1-cyanocyclopentyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(1-cyanocyclopentyl)amino]-2-oxoethyl] 4-(benzimidazol-1-yl)benzoate Traditional Name: 4-(benzimidazol-1-yl)benzoic acid [2-[(1-cyanocyclopentyl)amino]-2-keto-ethyl] ester Formula: C22H20N4O3 MolecularWeight: 388.4192

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)(C#N)NC(=O)COC(=O)C2=CC=C(C=C2)N3C=NC4=CC=CC=C43

Isomeric SMILES

C1CCC(C1)(C#N)NC(=O)COC(=O)C2=CC=C(C=C2)N3C=NC4=CC=CC=C43

InChI

InChI=1S/C22H20N4O3/c23-14-22(11-3-4-12-22)25-20(27)13-29-21(28)16-7-9-17(10-8-16)26-15-24-18-5-1-2-6-19(18)26/h1-2,5-10,15H,3-4,11-13H2,(H,25,27)