[1-oxidanylidene-1-[(4-propan-2-ylphenyl)amino]propan-2-yl] 3H-benzimidazole-5-carboxylate

Systemtic Name: [1-oxidanylidene-1-[(4-propan-2-ylphenyl)amino]propan-2-yl] 3H-benzimidazole-5-carboxylate Openeye Name: [2-(4-isopropylanilino)-1-methyl-2-oxo-ethyl] 3H-benzimidazole-5-carboxylate CAS Name: 3H-benzimidazole-5-carboxylic acid [1-oxo-1-(4-propan-2-ylanilino)propan-2-yl] ester IUPAC Name: [1-oxo-1-(4-propan-2-ylanilino)propan-2-yl] 3H-benzimidazole-5-carboxylate Traditional Name: 3H-benzimidazole-5-carboxylic acid (2-cumidino-2-keto-1-methyl-ethyl) ester Formula: C20H21N3O3 MolecularWeight: 351.39904

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)NC(=O)C(C)OC(=O)C2=CC3=C(C=C2)N=CN3

Isomeric SMILES

CC(C)C1=CC=C(C=C1)NC(=O)C(C)OC(=O)C2=CC3=C(C=C2)N=CN3

InChI

InChI=1S/C20H21N3O3/c1-12(2)14-4-7-16(8-5-14)23-19(24)13(3)26-20(25)15-6-9-17-18(10-15)22-11-21-17/h4-13H,1-3H3,(H,21,22)(H,23,24)