2-[[3-[(4-ethanoyl-2-ethyl-5-oxidanyl-phenoxy)methyl]phenyl]carbonylamino]ethanoic acid

Systemtic Name: 2-[[3-[(4-ethanoyl-2-ethyl-5-oxidanyl-phenoxy)methyl]phenyl]carbonylamino]ethanoic acid Openeye Name: 2-[[3-[(4-acetyl-2-ethyl-5-hydroxy-phenoxy)methyl]benzoyl]amino]acetic acid CAS Name: 2-[[[3-[(4-acetyl-2-ethyl-5-hydroxyphenoxy)methyl]phenyl]-oxomethyl]amino]acetic acid IUPAC Name: 2-[[3-[(4-acetyl-2-ethyl-5-hydroxyphenoxy)methyl]benzoyl]amino]acetic acid Traditional Name: 2-[[3-[(4-acetyl-2-ethyl-5-hydroxy-phenoxy)methyl]benzoyl]amino]acetic acid Formula: C20H21NO6 MolecularWeight: 371.38384

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C(C(=C1)C(=O)C)O)OCC2=CC=CC(=C2)C(=O)NCC(=O)O

Isomeric SMILES

CCC1=C(C=C(C(=C1)C(=O)C)O)OCC2=CC=CC(=C2)C(=O)NCC(=O)O

InChI

InChI=1S/C20H21NO6/c1-3-14-8-16(12(2)22)17(23)9-18(14)27-11-13-5-4-6-15(7-13)20(26)21-10-19(24)25/h4-9,23H,3,10-11H2,1-2H3,(H,21,26)(H,24,25)