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

Systemtic Name: 3-[(2-acetamido-3-methyl-butanoyl)amino]-4-chloranyl-benzoic acid Openeye Name: 3-[(2-acetamido-3-methyl-butanoyl)amino]-4-chloro-benzoic acid CAS Name: 3-[(2-acetamido-3-methyl-1-oxobutyl)amino]-4-chlorobenzoic acid IUPAC Name: 3-[(2-acetamido-3-methylbutanoyl)amino]-4-chlorobenzoic acid Traditional Name: 3-[(2-acetamido-3-methyl-butanoyl)amino]-4-chloro-benzoic acid Formula: C14H17ClN2O4 MolecularWeight: 312.74878

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H17ClN2O4/c1-7(2)12(16-8(3)18)13(19)17-11-6-9(14(20)21)4-5-10(11)15/h4-7,12H,1-3H3,(H,16,18)(H,17,19)(H,20,21)