3-[3-[2-methyl-6-(oxan-2-yloxymethyl)pyridin-4-yl]phenyl]-3-oxidanylidene-propanoic acid

Systemtic Name: 3-[3-[2-methyl-6-(oxan-2-yloxymethyl)pyridin-4-yl]phenyl]-3-oxidanylidene-propanoic acid Openeye Name: 3-[3-[2-methyl-6-(tetrahydropyran-2-yloxymethyl)-4-pyridyl]phenyl]-3-oxo-propanoic acid CAS Name: 3-[3-[2-methyl-6-(2-oxanyloxymethyl)-4-pyridinyl]phenyl]-3-oxopropanoic acid IUPAC Name: 3-[3-[2-methyl-6-(oxan-2-yloxymethyl)pyridin-4-yl]phenyl]-3-oxopropanoic acid Traditional Name: 3-keto-3-[3-[2-methyl-6-(tetrahydropyran-2-yloxymethyl)-4-pyridyl]phenyl]propionic acid Formula: C21H23NO5 MolecularWeight: 369.41102

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=CC(=C1)C2=CC(=CC=C2)C(=O)CC(=O)O)COC3CCCCO3

Isomeric SMILES

CC1=NC(=CC(=C1)C2=CC(=CC=C2)C(=O)CC(=O)O)COC3CCCCO3

InChI

InChI=1S/C21H23NO5/c1-14-9-17(11-18(22-14)13-27-21-7-2-3-8-26-21)15-5-4-6-16(10-15)19(23)12-20(24)25/h4-6,9-11,21H,2-3,7-8,12-13H2,1H3,(H,24,25)