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

Systemtic Name: 2-[[3-[(4-ethanoyl-2-ethyl-5-oxidanyl-phenoxy)methyl]phenyl]carbonylamino]propanoic acid Openeye Name: 2-[[3-[(4-acetyl-2-ethyl-5-hydroxy-phenoxy)methyl]benzoyl]amino]propanoic acid CAS Name: 2-[[[3-[(4-acetyl-2-ethyl-5-hydroxyphenoxy)methyl]phenyl]-oxomethyl]amino]propanoic acid IUPAC Name: 2-[[3-[(4-acetyl-2-ethyl-5-hydroxyphenoxy)methyl]benzoyl]amino]propanoic acid Traditional Name: 2-[[3-[(4-acetyl-2-ethyl-5-hydroxy-phenoxy)methyl]benzoyl]amino]propionic acid Formula: C21H23NO6 MolecularWeight: 385.41042

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23NO6/c1-4-15-9-17(13(3)23)18(24)10-19(15)28-11-14-6-5-7-16(8-14)20(25)22-12(2)21(26)27/h5-10,12,24H,4,11H2,1-3H3,(H,22,25)(H,26,27)