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

Systemtic Name: 5-[[4-[2-cyano-3-[(2-ethylphenyl)amino]-3-oxidanylidene-prop-1-enyl]-2-methoxy-phenoxy]methyl]furan-2-carboxylic acid Openeye Name: 5-[[4-[2-cyano-3-(2-ethylanilino)-3-oxo-prop-1-enyl]-2-methoxy-phenoxy]methyl]furan-2-carboxylic acid CAS Name: 5-[[4-[2-cyano-3-(2-ethylanilino)-3-oxoprop-1-enyl]-2-methoxyphenoxy]methyl]-2-furancarboxylic acid IUPAC Name: 5-[[4-[2-cyano-3-(2-ethylanilino)-3-oxoprop-1-enyl]-2-methoxyphenoxy]methyl]furan-2-carboxylic acid Traditional Name: 5-[[4-[2-cyano-3-(2-ethylanilino)-3-keto-prop-1-enyl]-2-methoxy-phenoxy]methyl]-2-furoic acid Formula: C25H22N2O6 MolecularWeight: 446.45198

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1NC(=O)C(=CC2=CC(=C(C=C2)OCC3=CC=C(O3)C(=O)O)OC)C#N

Isomeric SMILES

CCC1=CC=CC=C1NC(=O)C(=CC2=CC(=C(C=C2)OCC3=CC=C(O3)C(=O)O)OC)C#N

InChI

InChI=1S/C25H22N2O6/c1-3-17-6-4-5-7-20(17)27-24(28)18(14-26)12-16-8-10-21(23(13-16)31-2)32-15-19-9-11-22(33-19)25(29)30/h4-13H,3,15H2,1-2H3,(H,27,28)(H,29,30)