5-[[2-(2-aminocarbonylphenoxy)-4,4-dimethyl-3-oxidanylidene-pentanoyl]amino]benzene-1,3-dicarboxylic acid

Systemtic Name: 5-[[2-(2-aminocarbonylphenoxy)-4,4-dimethyl-3-oxidanylidene-pentanoyl]amino]benzene-1,3-dicarboxylic acid Openeye Name: 5-[[2-(2-carbamoylphenoxy)-4,4-dimethyl-3-oxo-pentanoyl]amino]benzene-1,3-dicarboxylic acid CAS Name: 5-[[2-(2-carbamoylphenoxy)-4,4-dimethyl-1,3-dioxopentyl]amino]benzene-1,3-dicarboxylic acid IUPAC Name: 5-[[2-(2-carbamoylphenoxy)-4,4-dimethyl-3-oxopentanoyl]amino]benzene-1,3-dicarboxylic acid Traditional Name: 5-[[2-(2-carbamoylphenoxy)-3-keto-4,4-dimethyl-pentanoyl]amino]isophthalic acid Formula: C22H22N2O8 MolecularWeight: 442.41868

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)C(C(=O)NC1=CC(=CC(=C1)C(=O)O)C(=O)O)OC2=CC=CC=C2C(=O)N

Isomeric SMILES

CC(C)(C)C(=O)C(C(=O)NC1=CC(=CC(=C1)C(=O)O)C(=O)O)OC2=CC=CC=C2C(=O)N

InChI

InChI=1S/C22H22N2O8/c1-22(2,3)17(25)16(32-15-7-5-4-6-14(15)18(23)26)19(27)24-13-9-11(20(28)29)8-12(10-13)21(30)31/h4-10,16H,1-3H3,(H2,23,26)(H,24,27)(H,28,29)(H,30,31)