1-[(2R)-1-(tert-butylamino)-1-oxidanylidene-propan-2-yl]benzimidazole-5-carboxylate

Systemtic Name: 1-[(2R)-1-(tert-butylamino)-1-oxidanylidene-propan-2-yl]benzimidazole-5-carboxylate Openeye Name: 1-[(1R)-2-(tert-butylamino)-1-methyl-2-oxo-ethyl]benzimidazole-5-carboxylate CAS Name: 1-[(2R)-1-(tert-butylamino)-1-oxopropan-2-yl]-5-benzimidazolecarboxylate IUPAC Name: 1-[(2R)-1-(tert-butylamino)-1-oxopropan-2-yl]benzimidazole-5-carboxylate Traditional Name: 1-[(1R)-2-(tert-butylamino)-2-keto-1-methyl-ethyl]benzimidazole-5-carboxylate Formula: C15H18N3O3- MolecularWeight: 288.32172

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC(C)(C)C)N1C=NC2=C1C=CC(=C2)C(=O)[O-]

Isomeric SMILES

C[C@H](C(=O)NC(C)(C)C)N1C=NC2=C1C=CC(=C2)C(=O)[O-]

InChI

InChI=1S/C15H19N3O3/c1-9(13(19)17-15(2,3)4)18-8-16-11-7-10(14(20)21)5-6-12(11)18/h5-9H,1-4H3,(H,17,19)(H,20,21)/p-1/t9-/m1/s1