3-[2-(oxan-2-yloxymethyl)pyridin-4-yl]benzoic acid

Systemtic Name: 3-[2-(oxan-2-yloxymethyl)pyridin-4-yl]benzoic acid Openeye Name: 3-[2-(tetrahydropyran-2-yloxymethyl)-4-pyridyl]benzoic acid CAS Name: 3-[2-(2-oxanyloxymethyl)-4-pyridinyl]benzoic acid IUPAC Name: 3-[2-(oxan-2-yloxymethyl)pyridin-4-yl]benzoic acid Traditional Name: 3-[2-(tetrahydropyran-2-yloxymethyl)-4-pyridyl]benzoic acid Formula: C18H19NO4 MolecularWeight: 313.34776

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H19NO4/c20-18(21)15-5-3-4-13(10-15)14-7-8-19-16(11-14)12-23-17-6-1-2-9-22-17/h3-5,7-8,10-11,17H,1-2,6,9,12H2,(H,20,21)