6-[2-(3-tert-butylphenyl)ethynyl]pyridine-3-carboxylic acid

Systemtic Name: 6-[2-(3-tert-butylphenyl)ethynyl]pyridine-3-carboxylic acid Openeye Name: 6-[2-(3-tert-butylphenyl)ethynyl]pyridine-3-carboxylic acid CAS Name: 6-[2-(3-tert-butylphenyl)ethynyl]-3-pyridinecarboxylic acid IUPAC Name: 6-[2-(3-tert-butylphenyl)ethynyl]pyridine-3-carboxylic acid Traditional Name: 6-[2-(3-tert-butylphenyl)ethynyl]nicotinic acid Formula: C18H17NO2 MolecularWeight: 279.33308

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=CC(=C1)C#CC2=NC=C(C=C2)C(=O)O

Isomeric SMILES

CC(C)(C)C1=CC=CC(=C1)C#CC2=NC=C(C=C2)C(=O)O

InChI

InChI=1S/C18H17NO2/c1-18(2,3)15-6-4-5-13(11-15)7-9-16-10-8-14(12-19-16)17(20)21/h4-6,8,10-12H,1-3H3,(H,20,21)