3-[3-[2-(oxan-2-yloxymethyl)pyridin-4-yl]phenyl]-3-oxidanylidene-propanoic acid

Systemtic Name: 3-[3-[2-(oxan-2-yloxymethyl)pyridin-4-yl]phenyl]-3-oxidanylidene-propanoic acid Openeye Name: 3-oxo-3-[3-[2-(tetrahydropyran-2-yloxymethyl)-4-pyridyl]phenyl]propanoic acid CAS Name: 3-[3-[2-(2-oxanyloxymethyl)-4-pyridinyl]phenyl]-3-oxopropanoic acid IUPAC Name: 3-[3-[2-(oxan-2-yloxymethyl)pyridin-4-yl]phenyl]-3-oxopropanoic acid Traditional Name: 3-keto-3-[3-[2-(tetrahydropyran-2-yloxymethyl)-4-pyridyl]phenyl]propionic acid Formula: C20H21NO5 MolecularWeight: 355.38444

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Descriptors Computed from Structure

Canonical SMILES:

C1CCOC(C1)OCC2=NC=CC(=C2)C3=CC(=CC=C3)C(=O)CC(=O)O

Isomeric SMILES

C1CCOC(C1)OCC2=NC=CC(=C2)C3=CC(=CC=C3)C(=O)CC(=O)O

InChI

InChI=1S/C20H21NO5/c22-18(12-19(23)24)16-5-3-4-14(10-16)15-7-8-21-17(11-15)13-26-20-6-1-2-9-25-20/h3-5,7-8,10-11,20H,1-2,6,9,12-13H2,(H,23,24)