2-[ethanoyl-[4-(1-oxidanyl-4-oxidanylidene-pentan-2-yl)phenoxy]amino]-2-phenoxy-ethanoic acid

Systemtic Name: 2-[ethanoyl-[4-(1-oxidanyl-4-oxidanylidene-pentan-2-yl)phenoxy]amino]-2-phenoxy-ethanoic acid Openeye Name: 2-[acetyl-[4-[1-(hydroxymethyl)-3-oxo-butyl]phenoxy]amino]-2-phenoxy-acetic acid CAS Name: 2-[acetyl-[4-(1-hydroxy-4-oxopentan-2-yl)phenoxy]amino]-2-phenoxyacetic acid IUPAC Name: 2-[acetyl-[4-(1-hydroxy-4-oxopentan-2-yl)phenoxy]amino]-2-phenoxyacetic acid Traditional Name: 2-[acetyl-[4-(3-keto-1-methylol-butyl)phenoxy]amino]-2-phenoxy-acetic acid Formula: C21H23NO7 MolecularWeight: 401.40982

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CC(CO)C1=CC=C(C=C1)ON(C(C(=O)O)OC2=CC=CC=C2)C(=O)C

Isomeric SMILES

CC(=O)CC(CO)C1=CC=C(C=C1)ON(C(C(=O)O)OC2=CC=CC=C2)C(=O)C

InChI

InChI=1S/C21H23NO7/c1-14(24)12-17(13-23)16-8-10-19(11-9-16)29-22(15(2)25)20(21(26)27)28-18-6-4-3-5-7-18/h3-11,17,20,23H,12-13H2,1-2H3,(H,26,27)