4-[[(2-acetamido-3-methyl-butanoyl)amino]methyl]benzoic acid

Systemtic Name: 4-[[(2-acetamido-3-methyl-butanoyl)amino]methyl]benzoic acid Openeye Name: 4-[[(2-acetamido-3-methyl-butanoyl)amino]methyl]benzoic acid CAS Name: 4-[[(2-acetamido-3-methyl-1-oxobutyl)amino]methyl]benzoic acid IUPAC Name: 4-[[(2-acetamido-3-methylbutanoyl)amino]methyl]benzoic acid Traditional Name: 4-[[(2-acetamido-3-methyl-butanoyl)amino]methyl]benzoic acid Formula: C15H20N2O4 MolecularWeight: 292.3303

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NCC1=CC=C(C=C1)C(=O)O)NC(=O)C

Isomeric SMILES

CC(C)C(C(=O)NCC1=CC=C(C=C1)C(=O)O)NC(=O)C

InChI

InChI=1S/C15H20N2O4/c1-9(2)13(17-10(3)18)14(19)16-8-11-4-6-12(7-5-11)15(20)21/h4-7,9,13H,8H2,1-3H3,(H,16,19)(H,17,18)(H,20,21)