4-(2-methylpentanoylamino)benzoic acid

Systemtic Name: 4-(2-methylpentanoylamino)benzoic acid Openeye Name: 4-(2-methylpentanoylamino)benzoic acid CAS Name: 4-[(2-methyl-1-oxopentyl)amino]benzoic acid IUPAC Name: 4-(2-methylpentanoylamino)benzoic acid Traditional Name: 4-(2-methylpentanoylamino)benzoic acid Formula: C13H17NO3 MolecularWeight: 235.27898

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H17NO3/c1-3-4-9(2)12(15)14-11-7-5-10(6-8-11)13(16)17/h5-9H,3-4H2,1-2H3,(H,14,15)(H,16,17)