3-[[6-[(4-ethanoyl-2-ethyl-5-oxidanyl-phenoxy)methyl]pyridin-2-yl]carbonylamino]-4-oxidanyl-butanoic acid

Systemtic Name: 3-[[6-[(4-ethanoyl-2-ethyl-5-oxidanyl-phenoxy)methyl]pyridin-2-yl]carbonylamino]-4-oxidanyl-butanoic acid Openeye Name: 3-[[6-[(4-acetyl-2-ethyl-5-hydroxy-phenoxy)methyl]pyridine-2-carbonyl]amino]-4-hydroxy-butanoic acid CAS Name: 3-[[[6-[(4-acetyl-2-ethyl-5-hydroxyphenoxy)methyl]-2-pyridinyl]-oxomethyl]amino]-4-hydroxybutanoic acid IUPAC Name: 3-[[6-[(4-acetyl-2-ethyl-5-hydroxyphenoxy)methyl]pyridine-2-carbonyl]amino]-4-hydroxybutanoic acid Traditional Name: 3-[[6-[(4-acetyl-2-ethyl-5-hydroxy-phenoxy)methyl]picolinoyl]amino]-4-hydroxy-butyric acid Formula: C21H24N2O7 MolecularWeight: 416.42446

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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)NC(CC(=O)O)CO

Isomeric SMILES

CCC1=C(C=C(C(=C1)C(=O)C)O)OCC2=CC=CC(=N2)C(=O)NC(CC(=O)O)CO

InChI

InChI=1S/C21H24N2O7/c1-3-13-7-16(12(2)25)18(26)9-19(13)30-11-14-5-4-6-17(22-14)21(29)23-15(10-24)8-20(27)28/h4-7,9,15,24,26H,3,8,10-11H2,1-2H3,(H,23,29)(H,27,28)