2-[6-[5-(1-oxidanyl-1-oxidanylidene-propan-2-yl)pyridin-2-yl]pyridin-3-yl]propanoic acid

Systemtic Name: 2-[6-[5-(1-oxidanyl-1-oxidanylidene-propan-2-yl)pyridin-2-yl]pyridin-3-yl]propanoic acid Openeye Name: 2-[6-[5-(2-hydroxy-1-methyl-2-oxo-ethyl)-2-pyridyl]-3-pyridyl]propanoic acid CAS Name: 2-[6-[5-(1-hydroxy-1-oxopropan-2-yl)-2-pyridinyl]-3-pyridinyl]propanoic acid IUPAC Name: 2-[6-[5-(1-hydroxy-1-oxopropan-2-yl)pyridin-2-yl]pyridin-3-yl]propanoic acid Traditional Name: 2-[6-[5-(2-hydroxy-2-keto-1-methyl-ethyl)-2-pyridyl]-3-pyridyl]propionic acid Formula: C16H16N2O4 MolecularWeight: 300.30924

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CN=C(C=C1)C2=NC=C(C=C2)C(C)C(=O)O)C(=O)O

Isomeric SMILES

CC(C1=CN=C(C=C1)C2=NC=C(C=C2)C(C)C(=O)O)C(=O)O

InChI

InChI=1S/C16H16N2O4/c1-9(15(19)20)11-3-5-13(17-7-11)14-6-4-12(8-18-14)10(2)16(21)22/h3-10H,1-2H3,(H,19,20)(H,21,22)