5-acetamido-2-(3-methylbutanoylamino)benzoic acid

Systemtic Name: 5-acetamido-2-(3-methylbutanoylamino)benzoic acid Openeye Name: 5-acetamido-2-(3-methylbutanoylamino)benzoic acid CAS Name: 5-acetamido-2-[(3-methyl-1-oxobutyl)amino]benzoic acid IUPAC Name: 5-acetamido-2-(3-methylbutanoylamino)benzoic acid Traditional Name: 5-acetamido-2-(isovalerylamino)benzoic acid Formula: C14H18N2O4 MolecularWeight: 278.30372

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H18N2O4/c1-8(2)6-13(18)16-12-5-4-10(15-9(3)17)7-11(12)14(19)20/h4-5,7-8H,6H2,1-3H3,(H,15,17)(H,16,18)(H,19,20)