5-[6-(3-methoxy-3-oxidanylidene-propyl)-5-oxidanyl-pyridin-2-yl]pent-4-ynoic acid

Systemtic Name: 5-[6-(3-methoxy-3-oxidanylidene-propyl)-5-oxidanyl-pyridin-2-yl]pent-4-ynoic acid Openeye Name: 5-[5-hydroxy-6-(3-methoxy-3-oxo-propyl)-2-pyridyl]pent-4-ynoic acid CAS Name: 5-[5-hydroxy-6-(3-methoxy-3-oxopropyl)-2-pyridinyl]-4-pentynoic acid IUPAC Name: 5-[5-hydroxy-6-(3-methoxy-3-oxopropyl)pyridin-2-yl]pent-4-ynoic acid Traditional Name: 5-[5-hydroxy-6-(3-keto-3-methoxy-propyl)-2-pyridyl]pent-4-ynoic acid Formula: C14H15NO5 MolecularWeight: 277.2726

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCC1=C(C=CC(=N1)C#CCCC(=O)O)O

Isomeric SMILES

COC(=O)CCC1=C(C=CC(=N1)C#CCCC(=O)O)O

InChI

InChI=1S/C14H15NO5/c1-20-14(19)9-7-11-12(16)8-6-10(15-11)4-2-3-5-13(17)18/h6,8,16H,3,5,7,9H2,1H3,(H,17,18)