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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H19N3O3/c1-3-4-7-16-14(19)10(2)18-9-17-12-8-11(15(20)21)5-6-13(12)18/h5-6,8-10H,3-4,7H2,1-2H3,(H,16,19)(H,20,21)/p-1/t10-/m1/s1