3-[[1-[6-[(4-ethanoyl-2-ethyl-5-oxidanyl-phenoxy)methyl]pyridin-2-yl]-1-oxidanylidene-propan-2-yl]amino]propanoic acid

Systemtic Name: 3-[[1-[6-[(4-ethanoyl-2-ethyl-5-oxidanyl-phenoxy)methyl]pyridin-2-yl]-1-oxidanylidene-propan-2-yl]amino]propanoic acid Openeye Name: 3-[[2-[6-[(4-acetyl-2-ethyl-5-hydroxy-phenoxy)methyl]-2-pyridyl]-1-methyl-2-oxo-ethyl]amino]propanoic acid CAS Name: 3-[[1-[6-[(4-acetyl-2-ethyl-5-hydroxyphenoxy)methyl]-2-pyridinyl]-1-oxopropan-2-yl]amino]propanoic acid IUPAC Name: 3-[[1-[6-[(4-acetyl-2-ethyl-5-hydroxyphenoxy)methyl]pyridin-2-yl]-1-oxopropan-2-yl]amino]propanoic acid Traditional Name: 3-[[2-[6-[(4-acetyl-2-ethyl-5-hydroxy-phenoxy)methyl]-2-pyridyl]-2-keto-1-methyl-ethyl]amino]propionic acid Formula: C22H26N2O6 MolecularWeight: 414.45164

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C(C(=C1)C(=O)C)O)OCC2=CC=CC(=N2)C(=O)C(C)NCCC(=O)O

Isomeric SMILES

CCC1=C(C=C(C(=C1)C(=O)C)O)OCC2=CC=CC(=N2)C(=O)C(C)NCCC(=O)O

InChI

InChI=1S/C22H26N2O6/c1-4-15-10-17(14(3)25)19(26)11-20(15)30-12-16-6-5-7-18(24-16)22(29)13(2)23-9-8-21(27)28/h5-7,10-11,13,23,26H,4,8-9,12H2,1-3H3,(H,27,28)