2-(3-methylbutanoylamino)terephthalic acid

Systemtic Name: 2-(3-methylbutanoylamino)terephthalic acid Openeye Name: 2-(3-methylbutanoylamino)terephthalic acid CAS Name: 2-[(3-methyl-1-oxobutyl)amino]terephthalic acid IUPAC Name: 2-(3-methylbutanoylamino)terephthalic acid Traditional Name: 2-(isovalerylamino)terephthalic acid Formula: C13H15NO5 MolecularWeight: 265.2619

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H15NO5/c1-7(2)5-11(15)14-10-6-8(12(16)17)3-4-9(10)13(18)19/h3-4,6-7H,5H2,1-2H3,(H,14,15)(H,16,17)(H,18,19)