[2-[(2,5-diethoxy-4-morpholin-4-yl-phenyl)amino]-2-oxidanylidene-ethyl] 5-bromanylfuran-2-carboxylate

Systemtic Name: [2-[(2,5-diethoxy-4-morpholin-4-yl-phenyl)amino]-2-oxidanylidene-ethyl] 5-bromanylfuran-2-carboxylate Openeye Name: [2-(2,5-diethoxy-4-morpholino-anilino)-2-oxo-ethyl] 5-bromofuran-2-carboxylate CAS Name: 5-bromo-2-furancarboxylic acid [2-[2,5-diethoxy-4-(4-morpholinyl)anilino]-2-oxoethyl] ester IUPAC Name: [2-(2,5-diethoxy-4-morpholin-4-ylanilino)-2-oxoethyl] 5-bromofuran-2-carboxylate Traditional Name: 5-bromofuran-2-carboxylic acid [2-(2,5-diethoxy-4-morpholino-anilino)-2-keto-ethyl] ester Formula: C21H25BrN2O7 MolecularWeight: 497.3364

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=C(C=C1N2CCOCC2)OCC)NC(=O)COC(=O)C3=CC=C(O3)Br

Isomeric SMILES

CCOC1=CC(=C(C=C1N2CCOCC2)OCC)NC(=O)COC(=O)C3=CC=C(O3)Br

InChI

InChI=1S/C21H25BrN2O7/c1-3-28-17-12-15(24-7-9-27-10-8-24)18(29-4-2)11-14(17)23-20(25)13-30-21(26)16-5-6-19(22)31-16/h5-6,11-12H,3-4,7-10,13H2,1-2H3,(H,23,25)