methyl 3-[2-[2-(5-cyano-6-oxidanylidene-1-prop-2-enyl-pyridin-3-yl)carbonyl-4-fluoranyl-phenoxy]ethanoylamino]benzoate

Systemtic Name: methyl 3-[2-[2-(5-cyano-6-oxidanylidene-1-prop-2-enyl-pyridin-3-yl)carbonyl-4-fluoranyl-phenoxy]ethanoylamino]benzoate Openeye Name: methyl 3-[[2-[2-(1-allyl-5-cyano-6-oxo-pyridine-3-carbonyl)-4-fluoro-phenoxy]acetyl]amino]benzoate CAS Name: 3-[[2-[2-[(5-cyano-6-oxo-1-prop-2-enyl-3-pyridinyl)-oxomethyl]-4-fluorophenoxy]-1-oxoethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 3-[[2-[2-(5-cyano-6-oxo-1-prop-2-enylpyridine-3-carbonyl)-4-fluorophenoxy]acetyl]amino]benzoate Traditional Name: 3-[[2-[2-(1-allyl-5-cyano-6-keto-nicotinoyl)-4-fluoro-phenoxy]acetyl]amino]benzoic acid methyl ester Formula: C26H20FN3O6 MolecularWeight: 489.451903

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC=C1)NC(=O)COC2=C(C=C(C=C2)F)C(=O)C3=CN(C(=O)C(=C3)C#N)CC=C

Isomeric SMILES

COC(=O)C1=CC(=CC=C1)NC(=O)COC2=C(C=C(C=C2)F)C(=O)C3=CN(C(=O)C(=C3)C#N)CC=C

InChI

InChI=1S/C26H20FN3O6/c1-3-9-30-14-18(10-17(13-28)25(30)33)24(32)21-12-19(27)7-8-22(21)36-15-23(31)29-20-6-4-5-16(11-20)26(34)35-2/h3-8,10-12,14H,1,9,15H2,2H3,(H,29,31)