2-[[4-(hydroxymethyl)-3,5-dimethyl-2-(4-oxidanylphenoxy)phenyl]amino]-2-oxidanylidene-ethanoic acid

Systemtic Name: 2-[[4-(hydroxymethyl)-3,5-dimethyl-2-(4-oxidanylphenoxy)phenyl]amino]-2-oxidanylidene-ethanoic acid Openeye Name: 2-[4-(hydroxymethyl)-2-(4-hydroxyphenoxy)-3,5-dimethyl-anilino]-2-oxo-acetic acid CAS Name: 2-[4-(hydroxymethyl)-2-(4-hydroxyphenoxy)-3,5-dimethylanilino]-2-oxoacetic acid IUPAC Name: 2-[4-(hydroxymethyl)-2-(4-hydroxyphenoxy)-3,5-dimethylanilino]-2-oxoacetic acid Traditional Name: 2-[2-(4-hydroxyphenoxy)-3,5-dimethyl-4-methylol-anilino]-2-keto-acetic acid Formula: C17H17NO6 MolecularWeight: 331.31998

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1CO)C)OC2=CC=C(C=C2)O)NC(=O)C(=O)O

Isomeric SMILES

CC1=CC(=C(C(=C1CO)C)OC2=CC=C(C=C2)O)NC(=O)C(=O)O

InChI

InChI=1S/C17H17NO6/c1-9-7-14(18-16(21)17(22)23)15(10(2)13(9)8-19)24-12-5-3-11(20)4-6-12/h3-7,19-20H,8H2,1-2H3,(H,18,21)(H,22,23)