[2-oxidanylidene-2-(prop-2-ynylamino)ethyl] 2-methyl-1-phenyl-benzimidazole-5-carboxylate

Systemtic Name: [2-oxidanylidene-2-(prop-2-ynylamino)ethyl] 2-methyl-1-phenyl-benzimidazole-5-carboxylate Openeye Name: [2-oxo-2-(prop-2-ynylamino)ethyl] 2-methyl-1-phenyl-benzimidazole-5-carboxylate CAS Name: 2-methyl-1-phenyl-5-benzimidazolecarboxylic acid [2-oxo-2-(prop-2-ynylamino)ethyl] ester IUPAC Name: [2-oxo-2-(prop-2-ynylamino)ethyl] 2-methyl-1-phenylbenzimidazole-5-carboxylate Traditional Name: 2-methyl-1-phenyl-benzimidazole-5-carboxylic acid [2-keto-2-(propargylamino)ethyl] ester Formula: C20H17N3O3 MolecularWeight: 347.36728

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(N1C3=CC=CC=C3)C=CC(=C2)C(=O)OCC(=O)NCC#C

Isomeric SMILES

CC1=NC2=C(N1C3=CC=CC=C3)C=CC(=C2)C(=O)OCC(=O)NCC#C

InChI

InChI=1S/C20H17N3O3/c1-3-11-21-19(24)13-26-20(25)15-9-10-18-17(12-15)22-14(2)23(18)16-7-5-4-6-8-16/h1,4-10,12H,11,13H2,2H3,(H,21,24)