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

Systemtic Name: [2-[(1-cyanocyclohexyl)amino]-2-oxidanylidene-ethyl] 4-(benzimidazol-1-yl)benzoate Openeye Name: [2-[(1-cyanocyclohexyl)amino]-2-oxo-ethyl] 4-(benzimidazol-1-yl)benzoate CAS Name: 4-(1-benzimidazolyl)benzoic acid [2-[(1-cyanocyclohexyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(1-cyanocyclohexyl)amino]-2-oxoethyl] 4-(benzimidazol-1-yl)benzoate Traditional Name: 4-(benzimidazol-1-yl)benzoic acid [2-[(1-cyanocyclohexyl)amino]-2-keto-ethyl] ester Formula: C23H22N4O3 MolecularWeight: 402.44578

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)(C#N)NC(=O)COC(=O)C2=CC=C(C=C2)N3C=NC4=CC=CC=C43

Isomeric SMILES

C1CCC(CC1)(C#N)NC(=O)COC(=O)C2=CC=C(C=C2)N3C=NC4=CC=CC=C43

InChI

InChI=1S/C23H22N4O3/c24-15-23(12-4-1-5-13-23)26-21(28)14-30-22(29)17-8-10-18(11-9-17)27-16-25-19-6-2-3-7-20(19)27/h2-3,6-11,16H,1,4-5,12-14H2,(H,26,28)