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

Systemtic Name: 5-methyl-2-(3-methylbutanoylamino)benzoic acid Openeye Name: 5-methyl-2-(3-methylbutanoylamino)benzoic acid CAS Name: 5-methyl-2-[(3-methyl-1-oxobutyl)amino]benzoic acid IUPAC Name: 5-methyl-2-(3-methylbutanoylamino)benzoic acid Traditional Name: 2-(isovalerylamino)-5-methyl-benzoic acid Formula: C13H17NO3 MolecularWeight: 235.27898

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=O)CC(C)C)C(=O)O

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=O)CC(C)C)C(=O)O

InChI

InChI=1S/C13H17NO3/c1-8(2)6-12(15)14-11-5-4-9(3)7-10(11)13(16)17/h4-5,7-8H,6H2,1-3H3,(H,14,15)(H,16,17)