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

Systemtic Name: 4-[[4-[2-cyano-3-[(4-methoxyphenyl)amino]-3-oxidanylidene-prop-1-enyl]-2-ethoxy-phenoxy]methyl]benzoic acid Openeye Name: 4-[[4-[2-cyano-3-(4-methoxyanilino)-3-oxo-prop-1-enyl]-2-ethoxy-phenoxy]methyl]benzoic acid CAS Name: 4-[[4-[2-cyano-3-(4-methoxyanilino)-3-oxoprop-1-enyl]-2-ethoxyphenoxy]methyl]benzoic acid IUPAC Name: 4-[[4-[2-cyano-3-(4-methoxyanilino)-3-oxoprop-1-enyl]-2-ethoxyphenoxy]methyl]benzoic acid Traditional Name: 4-[[4-[2-cyano-3-keto-3-(p-anisidino)prop-1-enyl]-2-ethoxy-phenoxy]methyl]benzoic acid Formula: C27H24N2O6 MolecularWeight: 472.48926

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C=C(C#N)C(=O)NC2=CC=C(C=C2)OC)OCC3=CC=C(C=C3)C(=O)O

Isomeric SMILES

CCOC1=C(C=CC(=C1)C=C(C#N)C(=O)NC2=CC=C(C=C2)OC)OCC3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C27H24N2O6/c1-3-34-25-15-19(6-13-24(25)35-17-18-4-7-20(8-5-18)27(31)32)14-21(16-28)26(30)29-22-9-11-23(33-2)12-10-22/h4-15H,3,17H2,1-2H3,(H,29,30)(H,31,32)