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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H20N2O4/c1-8(2)13(16-10(4)18)14(19)17-12-7-11(15(20)21)6-5-9(12)3/h5-8,13H,1-4H3,(H,16,18)(H,17,19)(H,20,21)