3-methyl-2-[2-(3-methylphenoxy)ethanoylamino]pentanoic acid

Systemtic Name: 3-methyl-2-[2-(3-methylphenoxy)ethanoylamino]pentanoic acid Openeye Name: 3-methyl-2-[[2-(3-methylphenoxy)acetyl]amino]pentanoic acid CAS Name: 3-methyl-2-[[2-(3-methylphenoxy)-1-oxoethyl]amino]pentanoic acid IUPAC Name: 3-methyl-2-[[2-(3-methylphenoxy)acetyl]amino]pentanoic acid Traditional Name: 3-methyl-2-[[2-(3-methylphenoxy)acetyl]amino]valeric acid Formula: C15H21NO4 MolecularWeight: 279.33154

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)O)NC(=O)COC1=CC=CC(=C1)C

Isomeric SMILES

CCC(C)C(C(=O)O)NC(=O)COC1=CC=CC(=C1)C

InChI

InChI=1S/C15H21NO4/c1-4-11(3)14(15(18)19)16-13(17)9-20-12-7-5-6-10(2)8-12/h5-8,11,14H,4,9H2,1-3H3,(H,16,17)(H,18,19)