ethyl 1-[2-[[2-(1,3-benzodioxol-5-ylmethylidene)-3-oxidanylidene-1-benzofuran-6-yl]oxy]ethanoyl]piperidine-4-carboxylate

Systemtic Name: ethyl 1-[2-[[2-(1,3-benzodioxol-5-ylmethylidene)-3-oxidanylidene-1-benzofuran-6-yl]oxy]ethanoyl]piperidine-4-carboxylate Openeye Name: ethyl 1-[2-[2-(1,3-benzodioxol-5-ylmethylene)-3-oxo-benzofuran-6-yl]oxyacetyl]piperidine-4-carboxylate CAS Name: 1-[2-[[2-(1,3-benzodioxol-5-ylmethylidene)-3-oxo-6-benzofuranyl]oxy]-1-oxoethyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[2-[[2-(1,3-benzodioxol-5-ylmethylidene)-3-oxo-1-benzofuran-6-yl]oxy]acetyl]piperidine-4-carboxylate Traditional Name: 1-[2-(3-keto-2-piperonylidene-coumaran-6-yl)oxyacetyl]isonipecotic acid ethyl ester Formula: C26H25NO8 MolecularWeight: 479.4786

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C(=O)COC2=CC3=C(C=C2)C(=O)C(=CC4=CC5=C(C=C4)OCO5)O3

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C(=O)COC2=CC3=C(C=C2)C(=O)C(=CC4=CC5=C(C=C4)OCO5)O3

InChI

InChI=1S/C26H25NO8/c1-2-31-26(30)17-7-9-27(10-8-17)24(28)14-32-18-4-5-19-21(13-18)35-23(25(19)29)12-16-3-6-20-22(11-16)34-15-33-20/h3-6,11-13,17H,2,7-10,14-15H2,1H3