3-[[4-[2-cyano-3-[(4-hydroxyphenyl)amino]-3-oxidanylidene-prop-1-enyl]-2-methoxy-phenoxy]methyl]benzoic acid

Systemtic Name: 3-[[4-[2-cyano-3-[(4-hydroxyphenyl)amino]-3-oxidanylidene-prop-1-enyl]-2-methoxy-phenoxy]methyl]benzoic acid Openeye Name: 3-[[4-[2-cyano-3-(4-hydroxyanilino)-3-oxo-prop-1-enyl]-2-methoxy-phenoxy]methyl]benzoic acid CAS Name: 3-[[4-[2-cyano-3-(4-hydroxyanilino)-3-oxoprop-1-enyl]-2-methoxyphenoxy]methyl]benzoic acid IUPAC Name: 3-[[4-[2-cyano-3-(4-hydroxyanilino)-3-oxoprop-1-enyl]-2-methoxyphenoxy]methyl]benzoic acid Traditional Name: 3-[[4-[2-cyano-3-(4-hydroxyanilino)-3-keto-prop-1-enyl]-2-methoxy-phenoxy]methyl]benzoic acid Formula: C25H20N2O6 MolecularWeight: 444.4361

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C=C(C#N)C(=O)NC2=CC=C(C=C2)O)OCC3=CC=CC(=C3)C(=O)O

Isomeric SMILES

COC1=C(C=CC(=C1)C=C(C#N)C(=O)NC2=CC=C(C=C2)O)OCC3=CC=CC(=C3)C(=O)O

InChI

InChI=1S/C25H20N2O6/c1-32-23-13-16(11-19(14-26)24(29)27-20-6-8-21(28)9-7-20)5-10-22(23)33-15-17-3-2-4-18(12-17)25(30)31/h2-13,28H,15H2,1H3,(H,27,29)(H,30,31)