3-(3-methylbutanoylamino)-4-oxidanyl-benzoic acid

Systemtic Name: 3-(3-methylbutanoylamino)-4-oxidanyl-benzoic acid Openeye Name: 4-hydroxy-3-(3-methylbutanoylamino)benzoic acid CAS Name: 4-hydroxy-3-[(3-methyl-1-oxobutyl)amino]benzoic acid IUPAC Name: 4-hydroxy-3-(3-methylbutanoylamino)benzoic acid Traditional Name: 4-hydroxy-3-(isovalerylamino)benzoic acid Formula: C12H15NO4 MolecularWeight: 237.2518

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H15NO4/c1-7(2)5-11(15)13-9-6-8(12(16)17)3-4-10(9)14/h3-4,6-7,14H,5H2,1-2H3,(H,13,15)(H,16,17)