3-[6-[2-(3-methoxycarbonylphenyl)ethynyl]-3-oxidanyl-pyridin-2-yl]propanoic acid

Systemtic Name: 3-[6-[2-(3-methoxycarbonylphenyl)ethynyl]-3-oxidanyl-pyridin-2-yl]propanoic acid Openeye Name: 3-[3-hydroxy-6-[2-(3-methoxycarbonylphenyl)ethynyl]-2-pyridyl]propanoic acid CAS Name: 3-[3-hydroxy-6-[2-(3-methoxycarbonylphenyl)ethynyl]-2-pyridinyl]propanoic acid IUPAC Name: 3-[3-hydroxy-6-[2-(3-methoxycarbonylphenyl)ethynyl]pyridin-2-yl]propanoic acid Traditional Name: 3-[6-[2-(3-carbomethoxyphenyl)ethynyl]-3-hydroxy-2-pyridyl]propionic acid Formula: C18H15NO5 MolecularWeight: 325.3154

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC(=C1)C#CC2=NC(=C(C=C2)O)CCC(=O)O

Isomeric SMILES

COC(=O)C1=CC=CC(=C1)C#CC2=NC(=C(C=C2)O)CCC(=O)O

InChI

InChI=1S/C18H15NO5/c1-24-18(23)13-4-2-3-12(11-13)5-6-14-7-9-16(20)15(19-14)8-10-17(21)22/h2-4,7,9,11,20H,8,10H2,1H3,(H,21,22)