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

Systemtic Name: 3-[[4-[2-cyano-3-[(2-ethylphenyl)amino]-3-oxidanylidene-prop-1-enyl]phenoxy]methyl]benzoic acid Openeye Name: 3-[[4-[2-cyano-3-(2-ethylanilino)-3-oxo-prop-1-enyl]phenoxy]methyl]benzoic acid CAS Name: 3-[[4-[2-cyano-3-(2-ethylanilino)-3-oxoprop-1-enyl]phenoxy]methyl]benzoic acid IUPAC Name: 3-[[4-[2-cyano-3-(2-ethylanilino)-3-oxoprop-1-enyl]phenoxy]methyl]benzoic acid Traditional Name: 3-[[4-[2-cyano-3-(2-ethylanilino)-3-keto-prop-1-enyl]phenoxy]methyl]benzoic acid Formula: C26H22N2O4 MolecularWeight: 426.46388

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1NC(=O)C(=CC2=CC=C(C=C2)OCC3=CC=CC(=C3)C(=O)O)C#N

Isomeric SMILES

CCC1=CC=CC=C1NC(=O)C(=CC2=CC=C(C=C2)OCC3=CC=CC(=C3)C(=O)O)C#N

InChI

InChI=1S/C26H22N2O4/c1-2-20-7-3-4-9-24(20)28-25(29)22(16-27)14-18-10-12-23(13-11-18)32-17-19-6-5-8-21(15-19)26(30)31/h3-15H,2,17H2,1H3,(H,28,29)(H,30,31)