(3,3-dimethyl-2-oxidanylidene-butyl) 2-methyl-1-phenyl-benzimidazole-5-carboxylate

Systemtic Name: (3,3-dimethyl-2-oxidanylidene-butyl) 2-methyl-1-phenyl-benzimidazole-5-carboxylate Openeye Name: (3,3-dimethyl-2-oxo-butyl) 2-methyl-1-phenyl-benzimidazole-5-carboxylate CAS Name: 2-methyl-1-phenyl-5-benzimidazolecarboxylic acid (3,3-dimethyl-2-oxobutyl) ester IUPAC Name: (3,3-dimethyl-2-oxobutyl) 2-methyl-1-phenylbenzimidazole-5-carboxylate Traditional Name: 2-methyl-1-phenyl-benzimidazole-5-carboxylic acid (2-keto-3,3-dimethyl-butyl) ester Formula: C21H22N2O3 MolecularWeight: 350.41098

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22N2O3/c1-14-22-17-12-15(20(25)26-13-19(24)21(2,3)4)10-11-18(17)23(14)16-8-6-5-7-9-16/h5-12H,13H2,1-4H3