6-[(2S)-4-methylpentan-2-yl]oxypyridine-3-carboxylic acid

Systemtic Name: 6-[(2S)-4-methylpentan-2-yl]oxypyridine-3-carboxylic acid Openeye Name: 6-[(1S)-1,3-dimethylbutoxy]pyridine-3-carboxylic acid CAS Name: 6-[(2S)-4-methylpentan-2-yl]oxy-3-pyridinecarboxylic acid IUPAC Name: 6-[(2S)-4-methylpentan-2-yl]oxypyridine-3-carboxylic acid Traditional Name: 6-[(1S)-1,3-dimethylbutoxy]nicotinic acid Formula: C12H17NO3 MolecularWeight: 223.26828

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C)OC1=NC=C(C=C1)C(=O)O

Isomeric SMILES

C[C@@H](CC(C)C)OC1=NC=C(C=C1)C(=O)O

InChI

InChI=1S/C12H17NO3/c1-8(2)6-9(3)16-11-5-4-10(7-13-11)12(14)15/h4-5,7-9H,6H2,1-3H3,(H,14,15)/t9-/m0/s1