4-[1-(phenylcarbonyloxy)propan-2-yl]pyridine-3-carboxylic acid

Systemtic Name: 4-[1-(phenylcarbonyloxy)propan-2-yl]pyridine-3-carboxylic acid Openeye Name: 4-(2-benzoyloxy-1-methyl-ethyl)pyridine-3-carboxylic acid CAS Name: 4-(1-benzoyloxypropan-2-yl)-3-pyridinecarboxylic acid IUPAC Name: 4-(1-benzoyloxypropan-2-yl)pyridine-3-carboxylic acid Traditional Name: 4-(2-benzoyloxy-1-methyl-ethyl)nicotinic acid Formula: C16H15NO4 MolecularWeight: 285.2946

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H15NO4/c1-11(13-7-8-17-9-14(13)15(18)19)10-21-16(20)12-5-3-2-4-6-12/h2-9,11H,10H2,1H3,(H,18,19)