3-(3-methylbutanoylamino)phthalic acid

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)NC1=CC=CC(=C1C(=O)O)C(=O)O

Isomeric SMILES

CC(C)CC(=O)NC1=CC=CC(=C1C(=O)O)C(=O)O

InChI

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