5-[[4-(2-cyano-3-morpholin-4-yl-3-oxidanylidene-prop-1-enyl)-2-methoxy-phenoxy]methyl]furan-2-carboxylic acid

Systemtic Name: 5-[[4-(2-cyano-3-morpholin-4-yl-3-oxidanylidene-prop-1-enyl)-2-methoxy-phenoxy]methyl]furan-2-carboxylic acid Openeye Name: 5-[[4-(2-cyano-3-morpholino-3-oxo-prop-1-enyl)-2-methoxy-phenoxy]methyl]furan-2-carboxylic acid CAS Name: 5-[[4-[2-cyano-3-(4-morpholinyl)-3-oxoprop-1-enyl]-2-methoxyphenoxy]methyl]-2-furancarboxylic acid IUPAC Name: 5-[[4-(2-cyano-3-morpholin-4-yl-3-oxoprop-1-enyl)-2-methoxyphenoxy]methyl]furan-2-carboxylic acid Traditional Name: 5-[[4-(2-cyano-3-keto-3-morpholino-prop-1-enyl)-2-methoxy-phenoxy]methyl]-2-furoic acid Formula: C21H20N2O7 MolecularWeight: 412.3927

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C=C(C#N)C(=O)N2CCOCC2)OCC3=CC=C(O3)C(=O)O

Isomeric SMILES

COC1=C(C=CC(=C1)C=C(C#N)C(=O)N2CCOCC2)OCC3=CC=C(O3)C(=O)O

InChI

InChI=1S/C21H20N2O7/c1-27-19-11-14(10-15(12-22)20(24)23-6-8-28-9-7-23)2-4-17(19)29-13-16-3-5-18(30-16)21(25)26/h2-5,10-11H,6-9,13H2,1H3,(H,25,26)