1-[2-[[(2S)-butan-2-yl]amino]-2-oxidanylidene-ethyl]benzimidazole-5-carboxylate

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NC(=O)CN1C=NC2=C1C=CC(=C2)C(=O)[O-]

Isomeric SMILES

CC[C@H](C)NC(=O)CN1C=NC2=C1C=CC(=C2)C(=O)[O-]

InChI

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