4-[[2-(5-aminocarbonyl-6-oxidanylidene-1-propan-2-yl-pyridin-3-yl)carbonylphenoxy]methyl]benzoic acid

Systemtic Name: 4-[[2-(5-aminocarbonyl-6-oxidanylidene-1-propan-2-yl-pyridin-3-yl)carbonylphenoxy]methyl]benzoic acid Openeye Name: 4-[[2-(5-carbamoyl-1-isopropyl-6-oxo-pyridine-3-carbonyl)phenoxy]methyl]benzoic acid CAS Name: 4-[[2-[(5-carbamoyl-6-oxo-1-propan-2-yl-3-pyridinyl)-oxomethyl]phenoxy]methyl]benzoic acid IUPAC Name: 4-[[2-(5-carbamoyl-6-oxo-1-propan-2-ylpyridine-3-carbonyl)phenoxy]methyl]benzoic acid Traditional Name: 4-[[2-(5-carbamoyl-1-isopropyl-6-keto-nicotinoyl)phenoxy]methyl]benzoic acid Formula: C24H22N2O6 MolecularWeight: 434.44128

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C=C(C=C(C1=O)C(=O)N)C(=O)C2=CC=CC=C2OCC3=CC=C(C=C3)C(=O)O

Isomeric SMILES

CC(C)N1C=C(C=C(C1=O)C(=O)N)C(=O)C2=CC=CC=C2OCC3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C24H22N2O6/c1-14(2)26-12-17(11-19(22(25)28)23(26)29)21(27)18-5-3-4-6-20(18)32-13-15-7-9-16(10-8-15)24(30)31/h3-12,14H,13H2,1-2H3,(H2,25,28)(H,30,31)