2-[3-(3-methylbutanoylamino)phenoxy]ethanoic acid

Systemtic Name: 2-[3-(3-methylbutanoylamino)phenoxy]ethanoic acid Openeye Name: 2-[3-(3-methylbutanoylamino)phenoxy]acetic acid CAS Name: 2-[3-[(3-methyl-1-oxobutyl)amino]phenoxy]acetic acid IUPAC Name: 2-[3-(3-methylbutanoylamino)phenoxy]acetic acid Traditional Name: 2-[3-(isovalerylamino)phenoxy]acetic acid Formula: C13H17NO4 MolecularWeight: 251.27838

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)NC1=CC(=CC=C1)OCC(=O)O

Isomeric SMILES

CC(C)CC(=O)NC1=CC(=CC=C1)OCC(=O)O

InChI

InChI=1S/C13H17NO4/c1-9(2)6-12(15)14-10-4-3-5-11(7-10)18-8-13(16)17/h3-5,7,9H,6,8H2,1-2H3,(H,14,15)(H,16,17)