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

Systemtic Name: 5-[[4-[2-cyano-3-oxidanylidene-3-[(phenylmethyl)amino]prop-1-enyl]-2-methoxy-phenoxy]methyl]furan-2-carboxylic acid Openeye Name: 5-[[4-[3-(benzylamino)-2-cyano-3-oxo-prop-1-enyl]-2-methoxy-phenoxy]methyl]furan-2-carboxylic acid CAS Name: 5-[[4-[2-cyano-3-oxo-3-[(phenylmethyl)amino]prop-1-enyl]-2-methoxyphenoxy]methyl]-2-furancarboxylic acid IUPAC Name: 5-[[4-[3-(benzylamino)-2-cyano-3-oxoprop-1-enyl]-2-methoxyphenoxy]methyl]furan-2-carboxylic acid Traditional Name: 5-[[4-[3-(benzylamino)-2-cyano-3-keto-prop-1-enyl]-2-methoxy-phenoxy]methyl]-2-furoic acid Formula: C24H20N2O6 MolecularWeight: 432.4254

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C=C(C#N)C(=O)NCC2=CC=CC=C2)OCC3=CC=C(O3)C(=O)O

Isomeric SMILES

COC1=C(C=CC(=C1)C=C(C#N)C(=O)NCC2=CC=CC=C2)OCC3=CC=C(O3)C(=O)O

InChI

InChI=1S/C24H20N2O6/c1-30-22-12-17(7-9-20(22)31-15-19-8-10-21(32-19)24(28)29)11-18(13-25)23(27)26-14-16-5-3-2-4-6-16/h2-12H,14-15H2,1H3,(H,26,27)(H,28,29)