ethyl 1-[7-(diethoxyphosphorylmethyl)-3-oxidanylidene-1,2-dihydroinden-2-yl]-2-ethyl-imidazole-4-carboxylate

Systemtic Name: ethyl 1-[7-(diethoxyphosphorylmethyl)-3-oxidanylidene-1,2-dihydroinden-2-yl]-2-ethyl-imidazole-4-carboxylate Openeye Name: ethyl 1-[4-(diethoxyphosphorylmethyl)-1-oxo-indan-2-yl]-2-ethyl-imidazole-4-carboxylate CAS Name: 1-[7-(diethoxyphosphorylmethyl)-3-oxo-1,2-dihydroinden-2-yl]-2-ethyl-4-imidazolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[7-(diethoxyphosphorylmethyl)-3-oxo-1,2-dihydroinden-2-yl]-2-ethylimidazole-4-carboxylate Traditional Name: 1-[4-(diethoxyphosphorylmethyl)-1-keto-indan-2-yl]-2-ethyl-imidazole-4-carboxylic acid ethyl ester Formula: C22H29N2O6P MolecularWeight: 448.449221

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC(=CN1C2CC3=C(C2=O)C=CC=C3CP(=O)(OCC)OCC)C(=O)OCC

Isomeric SMILES

CCC1=NC(=CN1C2CC3=C(C2=O)C=CC=C3CP(=O)(OCC)OCC)C(=O)OCC

InChI

InChI=1S/C22H29N2O6P/c1-5-20-23-18(22(26)28-6-2)13-24(20)19-12-17-15(10-9-11-16(17)21(19)25)14-31(27,29-7-3)30-8-4/h9-11,13,19H,5-8,12,14H2,1-4H3