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

Systemtic Name: 3-[[4-[2-cyano-3-[(4-ethoxyphenyl)amino]-3-oxidanylidene-prop-1-enyl]phenoxy]methyl]benzoic acid Openeye Name: 3-[[4-[2-cyano-3-(4-ethoxyanilino)-3-oxo-prop-1-enyl]phenoxy]methyl]benzoic acid CAS Name: 3-[[4-[2-cyano-3-(4-ethoxyanilino)-3-oxoprop-1-enyl]phenoxy]methyl]benzoic acid IUPAC Name: 3-[[4-[2-cyano-3-(4-ethoxyanilino)-3-oxoprop-1-enyl]phenoxy]methyl]benzoic acid Traditional Name: 3-[[4-[2-cyano-3-keto-3-(p-phenetidino)prop-1-enyl]phenoxy]methyl]benzoic acid Formula: C26H22N2O5 MolecularWeight: 442.46328

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)NC(=O)C(=CC2=CC=C(C=C2)OCC3=CC=CC(=C3)C(=O)O)C#N

Isomeric SMILES

CCOC1=CC=C(C=C1)NC(=O)C(=CC2=CC=C(C=C2)OCC3=CC=CC(=C3)C(=O)O)C#N

InChI

InChI=1S/C26H22N2O5/c1-2-32-23-12-8-22(9-13-23)28-25(29)21(16-27)14-18-6-10-24(11-7-18)33-17-19-4-3-5-20(15-19)26(30)31/h3-15H,2,17H2,1H3,(H,28,29)(H,30,31)