1-[7-(diethoxyphosphorylmethyl)-3-oxidanylidene-1,2-dihydroinden-2-yl]-4-ethoxycarbonyl-imidazole-2-carboxylic acid

Systemtic Name: 1-[7-(diethoxyphosphorylmethyl)-3-oxidanylidene-1,2-dihydroinden-2-yl]-4-ethoxycarbonyl-imidazole-2-carboxylic acid Openeye Name: 1-[4-(diethoxyphosphorylmethyl)-1-oxo-indan-2-yl]-4-ethoxycarbonyl-imidazole-2-carboxylic acid CAS Name: 1-[7-(diethoxyphosphorylmethyl)-3-oxo-1,2-dihydroinden-2-yl]-4-ethoxycarbonyl-2-imidazolecarboxylic acid IUPAC Name: 1-[7-(diethoxyphosphorylmethyl)-3-oxo-1,2-dihydroinden-2-yl]-4-ethoxycarbonylimidazole-2-carboxylic acid Traditional Name: 4-carbethoxy-1-[4-(diethoxyphosphorylmethyl)-1-keto-indan-2-yl]imidazole-2-carboxylic acid Formula: C21H25N2O8P MolecularWeight: 464.405561

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN(C(=N1)C(=O)O)C2CC3=C(C2=O)C=CC=C3CP(=O)(OCC)OCC

Isomeric SMILES

CCOC(=O)C1=CN(C(=N1)C(=O)O)C2CC3=C(C2=O)C=CC=C3CP(=O)(OCC)OCC

InChI

InChI=1S/C21H25N2O8P/c1-4-29-21(27)16-11-23(19(22-16)20(25)26)17-10-15-13(8-7-9-14(15)18(17)24)12-32(28,30-5-2)31-6-3/h7-9,11,17H,4-6,10,12H2,1-3H3,(H,25,26)