1-[(2S)-1-oxidanylidene-1-(propylamino)propan-2-yl]benzimidazole-5-carboxylate

Systemtic Name: 1-[(2S)-1-oxidanylidene-1-(propylamino)propan-2-yl]benzimidazole-5-carboxylate Openeye Name: 1-[(1S)-1-methyl-2-oxo-2-(propylamino)ethyl]benzimidazole-5-carboxylate CAS Name: 1-[(2S)-1-oxo-1-(propylamino)propan-2-yl]-5-benzimidazolecarboxylate IUPAC Name: 1-[(2S)-1-oxo-1-(propylamino)propan-2-yl]benzimidazole-5-carboxylate Traditional Name: 1-[(1S)-2-keto-1-methyl-2-(propylamino)ethyl]benzimidazole-5-carboxylate Formula: C14H16N3O3- MolecularWeight: 274.29514

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H17N3O3/c1-3-6-15-13(18)9(2)17-8-16-11-7-10(14(19)20)4-5-12(11)17/h4-5,7-9H,3,6H2,1-2H3,(H,15,18)(H,19,20)/p-1/t9-/m0/s1