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

Systemtic Name: 3-[[6-[(4-ethanoyl-2-ethyl-5-oxidanyl-phenoxy)methyl]pyridin-2-yl]carbonyl-ethyl-amino]propanoic acid Openeye Name: 3-[[6-[(4-acetyl-2-ethyl-5-hydroxy-phenoxy)methyl]pyridine-2-carbonyl]-ethyl-amino]propanoic acid CAS Name: 3-[[[6-[(4-acetyl-2-ethyl-5-hydroxyphenoxy)methyl]-2-pyridinyl]-oxomethyl]-ethylamino]propanoic acid IUPAC Name: 3-[[6-[(4-acetyl-2-ethyl-5-hydroxyphenoxy)methyl]pyridine-2-carbonyl]-ethylamino]propanoic acid Traditional Name: 3-[[6-[(4-acetyl-2-ethyl-5-hydroxy-phenoxy)methyl]picolinoyl]-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)N(CC)CCC(=O)O

Isomeric SMILES

CCC1=C(C=C(C(=C1)C(=O)C)O)OCC2=CC=CC(=N2)C(=O)N(CC)CCC(=O)O

InChI

InChI=1S/C22H26N2O6/c1-4-15-11-17(14(3)25)19(26)12-20(15)30-13-16-7-6-8-18(23-16)22(29)24(5-2)10-9-21(27)28/h6-8,11-12,26H,4-5,9-10,13H2,1-3H3,(H,27,28)