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

Systemtic Name: 4-[[4-(2-cyano-3-oxidanylidene-3-phenylazanyl-prop-1-enyl)-2-methoxy-phenoxy]methyl]benzoic acid Openeye Name: 4-[[4-(3-anilino-2-cyano-3-oxo-prop-1-enyl)-2-methoxy-phenoxy]methyl]benzoic acid CAS Name: 4-[[4-(3-anilino-2-cyano-3-oxoprop-1-enyl)-2-methoxyphenoxy]methyl]benzoic acid IUPAC Name: 4-[[4-(3-anilino-2-cyano-3-oxoprop-1-enyl)-2-methoxyphenoxy]methyl]benzoic acid Traditional Name: 4-[[4-(3-anilino-2-cyano-3-keto-prop-1-enyl)-2-methoxy-phenoxy]methyl]benzoic acid Formula: C25H20N2O5 MolecularWeight: 428.4367

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H20N2O5/c1-31-23-14-18(13-20(15-26)24(28)27-21-5-3-2-4-6-21)9-12-22(23)32-16-17-7-10-19(11-8-17)25(29)30/h2-14H,16H2,1H3,(H,27,28)(H,29,30)