4-[[2-(1H-benzimidazol-2-yl)-1-ethoxy-1-oxidanylidene-propan-2-yl]amino]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[[2-(1H-benzimidazol-2-yl)-1-ethoxy-1-oxidanylidene-propan-2-yl]amino]-4-oxidanylidene-butanoic acid Openeye Name: 4-[[1-(1H-benzimidazol-2-yl)-2-ethoxy-1-methyl-2-oxo-ethyl]amino]-4-oxo-butanoic acid CAS Name: 4-[[2-(1H-benzimidazol-2-yl)-1-ethoxy-1-oxopropan-2-yl]amino]-4-oxobutanoic acid IUPAC Name: 4-[[2-(1H-benzimidazol-2-yl)-1-ethoxy-1-oxopropan-2-yl]amino]-4-oxobutanoic acid Traditional Name: 4-[[1-(1H-benzimidazol-2-yl)-2-ethoxy-2-keto-1-methyl-ethyl]amino]-4-keto-butyric acid Formula: C16H19N3O5 MolecularWeight: 333.33916

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C)(C1=NC2=CC=CC=C2N1)NC(=O)CCC(=O)O

Isomeric SMILES

CCOC(=O)C(C)(C1=NC2=CC=CC=C2N1)NC(=O)CCC(=O)O

InChI

InChI=1S/C16H19N3O5/c1-3-24-15(23)16(2,19-12(20)8-9-13(21)22)14-17-10-6-4-5-7-11(10)18-14/h4-7H,3,8-9H2,1-2H3,(H,17,18)(H,19,20)(H,21,22)