6-[2-[2-[(2-methylpropan-2-yl)oxy]phenyl]ethynyl]pyridine-3-carboxylic acid

Systemtic Name: 6-[2-[2-[(2-methylpropan-2-yl)oxy]phenyl]ethynyl]pyridine-3-carboxylic acid Openeye Name: 6-[2-(2-tert-butoxyphenyl)ethynyl]pyridine-3-carboxylic acid CAS Name: 6-[2-[2-[(2-methylpropan-2-yl)oxy]phenyl]ethynyl]-3-pyridinecarboxylic acid IUPAC Name: 6-[2-[2-[(2-methylpropan-2-yl)oxy]phenyl]ethynyl]pyridine-3-carboxylic acid Traditional Name: 6-[2-(2-tert-butoxyphenyl)ethynyl]nicotinic acid Formula: C18H17NO3 MolecularWeight: 295.33248

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC1=CC=CC=C1C#CC2=NC=C(C=C2)C(=O)O

Isomeric SMILES

CC(C)(C)OC1=CC=CC=C1C#CC2=NC=C(C=C2)C(=O)O

InChI

InChI=1S/C18H17NO3/c1-18(2,3)22-16-7-5-4-6-13(16)8-10-15-11-9-14(12-19-15)17(20)21/h4-7,9,11-12H,1-3H3,(H,20,21)