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

Systemtic Name: 3-[2-(acetyloxymethyl)pyridin-4-yl]benzoic acid Openeye Name: 3-[2-(acetoxymethyl)-4-pyridyl]benzoic acid CAS Name: 3-[2-(acetyloxymethyl)-4-pyridinyl]benzoic acid IUPAC Name: 3-[2-(acetyloxymethyl)pyridin-4-yl]benzoic acid Traditional Name: 3-[2-(acetoxymethyl)-4-pyridyl]benzoic acid Formula: C15H13NO4 MolecularWeight: 271.26802

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCC1=NC=CC(=C1)C2=CC(=CC=C2)C(=O)O

Isomeric SMILES

CC(=O)OCC1=NC=CC(=C1)C2=CC(=CC=C2)C(=O)O

InChI

InChI=1S/C15H13NO4/c1-10(17)20-9-14-8-12(5-6-16-14)11-3-2-4-13(7-11)15(18)19/h2-8H,9H2,1H3,(H,18,19)