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

Systemtic Name: 4-[[2-bromanyl-4-[2-cyano-3-[(4-ethylphenyl)amino]-3-oxidanylidene-prop-1-enyl]phenoxy]methyl]benzoic acid Openeye Name: 4-[[2-bromo-4-[2-cyano-3-(4-ethylanilino)-3-oxo-prop-1-enyl]phenoxy]methyl]benzoic acid CAS Name: 4-[[2-bromo-4-[2-cyano-3-(4-ethylanilino)-3-oxoprop-1-enyl]phenoxy]methyl]benzoic acid IUPAC Name: 4-[[2-bromo-4-[2-cyano-3-(4-ethylanilino)-3-oxoprop-1-enyl]phenoxy]methyl]benzoic acid Traditional Name: 4-[[2-bromo-4-[2-cyano-3-(4-ethylanilino)-3-keto-prop-1-enyl]phenoxy]methyl]benzoic acid Formula: C26H21BrN2O4 MolecularWeight: 505.35994

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)NC(=O)C(=CC2=CC(=C(C=C2)OCC3=CC=C(C=C3)C(=O)O)Br)C#N

Isomeric SMILES

CCC1=CC=C(C=C1)NC(=O)C(=CC2=CC(=C(C=C2)OCC3=CC=C(C=C3)C(=O)O)Br)C#N

InChI

InChI=1S/C26H21BrN2O4/c1-2-17-5-10-22(11-6-17)29-25(30)21(15-28)13-19-7-12-24(23(27)14-19)33-16-18-3-8-20(9-4-18)26(31)32/h3-14H,2,16H2,1H3,(H,29,30)(H,31,32)