[2-(cyclopropylamino)-2-oxidanylidene-ethyl] 2-(4-methylphenyl)-3H-benzimidazole-5-carboxylate

Systemtic Name: [2-(cyclopropylamino)-2-oxidanylidene-ethyl] 2-(4-methylphenyl)-3H-benzimidazole-5-carboxylate Openeye Name: [2-(cyclopropylamino)-2-oxo-ethyl] 2-(p-tolyl)-3H-benzimidazole-5-carboxylate CAS Name: 2-(4-methylphenyl)-3H-benzimidazole-5-carboxylic acid [2-(cyclopropylamino)-2-oxoethyl] ester IUPAC Name: [2-(cyclopropylamino)-2-oxoethyl] 2-(4-methylphenyl)-3H-benzimidazole-5-carboxylate Traditional Name: 2-(p-tolyl)-3H-benzimidazole-5-carboxylic acid [2-(cyclopropylamino)-2-keto-ethyl] ester Formula: C20H19N3O3 MolecularWeight: 349.38316

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NC3=C(N2)C=C(C=C3)C(=O)OCC(=O)NC4CC4

Isomeric SMILES

CC1=CC=C(C=C1)C2=NC3=C(N2)C=C(C=C3)C(=O)OCC(=O)NC4CC4

InChI

InChI=1S/C20H19N3O3/c1-12-2-4-13(5-3-12)19-22-16-9-6-14(10-17(16)23-19)20(25)26-11-18(24)21-15-7-8-15/h2-6,9-10,15H,7-8,11H2,1H3,(H,21,24)(H,22,23)