3-(3-methylbutanoylamino)benzoic acid

Systemtic Name: 3-(3-methylbutanoylamino)benzoic acid Openeye Name: 3-(3-methylbutanoylamino)benzoic acid CAS Name: 3-[(3-methyl-1-oxobutyl)amino]benzoic acid IUPAC Name: 3-(3-methylbutanoylamino)benzoic acid Traditional Name: 3-(isovalerylamino)benzoic acid Formula: C12H15NO3 MolecularWeight: 221.2524

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H15NO3/c1-8(2)6-11(14)13-10-5-3-4-9(7-10)12(15)16/h3-5,7-8H,6H2,1-2H3,(H,13,14)(H,15,16)