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

Systemtic Name: 5-[[4-[(Z)-2-cyano-3-(cyclohexylamino)-3-oxidanylidene-prop-1-enyl]-2-methoxy-phenoxy]methyl]furan-2-carboxylic acid Openeye Name: 5-[[4-[(Z)-2-cyano-3-(cyclohexylamino)-3-oxo-prop-1-enyl]-2-methoxy-phenoxy]methyl]furan-2-carboxylic acid CAS Name: 5-[[4-[(Z)-2-cyano-3-(cyclohexylamino)-3-oxoprop-1-enyl]-2-methoxyphenoxy]methyl]-2-furancarboxylic acid IUPAC Name: 5-[[4-[(Z)-2-cyano-3-(cyclohexylamino)-3-oxoprop-1-enyl]-2-methoxyphenoxy]methyl]furan-2-carboxylic acid Traditional Name: 5-[[4-[(Z)-2-cyano-3-(cyclohexylamino)-3-keto-prop-1-enyl]-2-methoxy-phenoxy]methyl]-2-furoic acid Formula: C23H24N2O6 MolecularWeight: 424.44646

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C=C(C#N)C(=O)NC2CCCCC2)OCC3=CC=C(O3)C(=O)O

Isomeric SMILES

COC1=C(C=CC(=C1)/C=C(/C#N)\C(=O)NC2CCCCC2)OCC3=CC=C(O3)C(=O)O

InChI

InChI=1S/C23H24N2O6/c1-29-21-12-15(11-16(13-24)22(26)25-17-5-3-2-4-6-17)7-9-19(21)30-14-18-8-10-20(31-18)23(27)28/h7-12,17H,2-6,14H2,1H3,(H,25,26)(H,27,28)/b16-11-