5-(2-ethylbutanoylamino)benzene-1,3-dicarboxylic acid

Systemtic Name: 5-(2-ethylbutanoylamino)benzene-1,3-dicarboxylic acid Openeye Name: 5-(2-ethylbutanoylamino)benzene-1,3-dicarboxylic acid CAS Name: 5-[(2-ethyl-1-oxobutyl)amino]benzene-1,3-dicarboxylic acid IUPAC Name: 5-(2-ethylbutanoylamino)benzene-1,3-dicarboxylic acid Traditional Name: 5-(2-ethylbutanoylamino)isophthalic acid Formula: C14H17NO5 MolecularWeight: 279.28848

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)C(=O)NC1=CC(=CC(=C1)C(=O)O)C(=O)O

Isomeric SMILES

CCC(CC)C(=O)NC1=CC(=CC(=C1)C(=O)O)C(=O)O

InChI

InChI=1S/C14H17NO5/c1-3-8(4-2)12(16)15-11-6-9(13(17)18)5-10(7-11)14(19)20/h5-8H,3-4H2,1-2H3,(H,15,16)(H,17,18)(H,19,20)