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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C=C(C#N)C(=O)NCC2=CC=CC=C2)OCC3=CC=C(O3)C(=O)O

Isomeric SMILES

CCOC1=C(C=CC(=C1)C=C(C#N)C(=O)NCC2=CC=CC=C2)OCC3=CC=C(O3)C(=O)O

InChI

InChI=1S/C25H22N2O6/c1-2-31-23-13-18(8-10-21(23)32-16-20-9-11-22(33-20)25(29)30)12-19(14-26)24(28)27-15-17-6-4-3-5-7-17/h3-13H,2,15-16H2,1H3,(H,27,28)(H,29,30)