2-[2-(2-propan-2-ylphenoxy)ethanoylamino]butanoic acid

Systemtic Name: 2-[2-(2-propan-2-ylphenoxy)ethanoylamino]butanoic acid Openeye Name: 2-[[2-(2-isopropylphenoxy)acetyl]amino]butanoic acid CAS Name: 2-[[1-oxo-2-(2-propan-2-ylphenoxy)ethyl]amino]butanoic acid IUPAC Name: 2-[[2-(2-propan-2-ylphenoxy)acetyl]amino]butanoic acid Traditional Name: 2-[[2-(2-isopropylphenoxy)acetyl]amino]butyric acid Formula: C15H21NO4 MolecularWeight: 279.33154

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)O)NC(=O)COC1=CC=CC=C1C(C)C

Isomeric SMILES

CCC(C(=O)O)NC(=O)COC1=CC=CC=C1C(C)C

InChI

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