2-[4-(3-methylbutanoylamino)phenoxy]ethanoate

Systemtic Name: 2-[4-(3-methylbutanoylamino)phenoxy]ethanoate Openeye Name: 2-[4-(3-methylbutanoylamino)phenoxy]acetate CAS Name: 2-[4-[(3-methyl-1-oxobutyl)amino]phenoxy]acetate IUPAC Name: 2-[4-(3-methylbutanoylamino)phenoxy]acetate Traditional Name: 2-[4-(isovalerylamino)phenoxy]acetate Formula: C13H16NO4- MolecularWeight: 250.27044

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)NC1=CC=C(C=C1)OCC(=O)[O-]

Isomeric SMILES

CC(C)CC(=O)NC1=CC=C(C=C1)OCC(=O)[O-]

InChI

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