(3-oxidanylidene-1H-2-benzofuran-1-yl) 5-(2-oxidanylpropan-2-yl)-2-propyl-1H-imidazole-4-carboxylate

Systemtic Name: (3-oxidanylidene-1H-2-benzofuran-1-yl) 5-(2-oxidanylpropan-2-yl)-2-propyl-1H-imidazole-4-carboxylate Openeye Name: (3-oxo-1H-isobenzofuran-1-yl) 5-(1-hydroxy-1-methyl-ethyl)-2-propyl-1H-imidazole-4-carboxylate CAS Name: 5-(2-hydroxypropan-2-yl)-2-propyl-1H-imidazole-4-carboxylic acid (3-oxo-1H-isobenzofuran-1-yl) ester IUPAC Name: (3-oxo-1H-2-benzofuran-1-yl) 5-(2-hydroxypropan-2-yl)-2-propyl-1H-imidazole-4-carboxylate Traditional Name: 5-(1-hydroxy-1-methyl-ethyl)-2-propyl-1H-imidazole-4-carboxylic acid phthalidyl ester Formula: C18H20N2O5 MolecularWeight: 344.3618

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NC(=C(N1)C(C)(C)O)C(=O)OC2C3=CC=CC=C3C(=O)O2

Isomeric SMILES

CCCC1=NC(=C(N1)C(C)(C)O)C(=O)OC2C3=CC=CC=C3C(=O)O2

InChI

InChI=1S/C18H20N2O5/c1-4-7-12-19-13(14(20-12)18(2,3)23)16(22)25-17-11-9-6-5-8-10(11)15(21)24-17/h5-6,8-9,17,23H,4,7H2,1-3H3,(H,19,20)