5-[[2-(2-ethylbutanoylamino)phenyl]carbonylamino]benzene-1,3-dicarboxylic acid

Systemtic Name: 5-[[2-(2-ethylbutanoylamino)phenyl]carbonylamino]benzene-1,3-dicarboxylic acid Openeye Name: 5-[[2-(2-ethylbutanoylamino)benzoyl]amino]benzene-1,3-dicarboxylic acid CAS Name: 5-[[[2-[(2-ethyl-1-oxobutyl)amino]phenyl]-oxomethyl]amino]benzene-1,3-dicarboxylic acid IUPAC Name: 5-[[2-(2-ethylbutanoylamino)benzoyl]amino]benzene-1,3-dicarboxylic acid Traditional Name: 5-[[2-(2-ethylbutanoylamino)benzoyl]amino]isophthalic acid Formula: C21H22N2O6 MolecularWeight: 398.40918

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)C(=O)NC1=CC=CC=C1C(=O)NC2=CC(=CC(=C2)C(=O)O)C(=O)O

Isomeric SMILES

CCC(CC)C(=O)NC1=CC=CC=C1C(=O)NC2=CC(=CC(=C2)C(=O)O)C(=O)O

InChI

InChI=1S/C21H22N2O6/c1-3-12(4-2)18(24)23-17-8-6-5-7-16(17)19(25)22-15-10-13(20(26)27)9-14(11-15)21(28)29/h5-12H,3-4H2,1-2H3,(H,22,25)(H,23,24)(H,26,27)(H,28,29)