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

Systemtic Name: 5-[[4-(2-cyano-3-morpholin-4-yl-3-oxidanylidene-prop-1-enyl)-2-ethoxy-phenoxy]methyl]furan-2-carboxylic acid Openeye Name: 5-[[4-(2-cyano-3-morpholino-3-oxo-prop-1-enyl)-2-ethoxy-phenoxy]methyl]furan-2-carboxylic acid CAS Name: 5-[[4-[2-cyano-3-(4-morpholinyl)-3-oxoprop-1-enyl]-2-ethoxyphenoxy]methyl]-2-furancarboxylic acid IUPAC Name: 5-[[4-(2-cyano-3-morpholin-4-yl-3-oxoprop-1-enyl)-2-ethoxyphenoxy]methyl]furan-2-carboxylic acid Traditional Name: 5-[[4-(2-cyano-3-keto-3-morpholino-prop-1-enyl)-2-ethoxy-phenoxy]methyl]-2-furoic acid Formula: C22H22N2O7 MolecularWeight: 426.41928

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C=C(C#N)C(=O)N2CCOCC2)OCC3=CC=C(O3)C(=O)O

Isomeric SMILES

CCOC1=C(C=CC(=C1)C=C(C#N)C(=O)N2CCOCC2)OCC3=CC=C(O3)C(=O)O

InChI

InChI=1S/C22H22N2O7/c1-2-29-20-12-15(11-16(13-23)21(25)24-7-9-28-10-8-24)3-5-18(20)30-14-17-4-6-19(31-17)22(26)27/h3-6,11-12H,2,7-10,14H2,1H3,(H,26,27)