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

Systemtic Name: 5-[[4-[(E)-2-cyano-3-(cyclohexylamino)-3-oxidanylidene-prop-1-enyl]-2-ethoxy-phenoxy]methyl]furan-2-carboxylic acid Openeye Name: 5-[[4-[(E)-2-cyano-3-(cyclohexylamino)-3-oxo-prop-1-enyl]-2-ethoxy-phenoxy]methyl]furan-2-carboxylic acid CAS Name: 5-[[4-[(E)-2-cyano-3-(cyclohexylamino)-3-oxoprop-1-enyl]-2-ethoxyphenoxy]methyl]-2-furancarboxylic acid IUPAC Name: 5-[[4-[(E)-2-cyano-3-(cyclohexylamino)-3-oxoprop-1-enyl]-2-ethoxyphenoxy]methyl]furan-2-carboxylic acid Traditional Name: 5-[[4-[(E)-2-cyano-3-(cyclohexylamino)-3-keto-prop-1-enyl]-2-ethoxy-phenoxy]methyl]-2-furoic acid Formula: C24H26N2O6 MolecularWeight: 438.47304

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C=C(C#N)C(=O)NC2CCCCC2)OCC3=CC=C(O3)C(=O)O

Isomeric SMILES

CCOC1=C(C=CC(=C1)/C=C(\C#N)/C(=O)NC2CCCCC2)OCC3=CC=C(O3)C(=O)O

InChI

InChI=1S/C24H26N2O6/c1-2-30-22-13-16(12-17(14-25)23(27)26-18-6-4-3-5-7-18)8-10-20(22)31-15-19-9-11-21(32-19)24(28)29/h8-13,18H,2-7,15H2,1H3,(H,26,27)(H,28,29)/b17-12+