2-[2-(4-chloranyl-3,5-dimethyl-phenoxy)ethanoylamino]-3-methyl-butanoic acid

Systemtic Name: 2-[2-(4-chloranyl-3,5-dimethyl-phenoxy)ethanoylamino]-3-methyl-butanoic acid Openeye Name: 2-[[2-(4-chloro-3,5-dimethyl-phenoxy)acetyl]amino]-3-methyl-butanoic acid CAS Name: 2-[[2-(4-chloro-3,5-dimethylphenoxy)-1-oxoethyl]amino]-3-methylbutanoic acid IUPAC Name: 2-[[2-(4-chloro-3,5-dimethylphenoxy)acetyl]amino]-3-methylbutanoic acid Traditional Name: 2-[[2-(4-chloro-3,5-dimethyl-phenoxy)acetyl]amino]-3-methyl-butyric acid Formula: C15H20ClNO4 MolecularWeight: 313.7766

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1Cl)C)OCC(=O)NC(C(C)C)C(=O)O

Isomeric SMILES

CC1=CC(=CC(=C1Cl)C)OCC(=O)NC(C(C)C)C(=O)O

InChI

InChI=1S/C15H20ClNO4/c1-8(2)14(15(19)20)17-12(18)7-21-11-5-9(3)13(16)10(4)6-11/h5-6,8,14H,7H2,1-4H3,(H,17,18)(H,19,20)