6-[2-[4-tert-butyl-3-(4-tert-butylphenoxy)phenyl]ethynyl]pyridine-3-carboxylic acid

Systemtic Name: 6-[2-[4-tert-butyl-3-(4-tert-butylphenoxy)phenyl]ethynyl]pyridine-3-carboxylic acid Openeye Name: 6-[2-[4-tert-butyl-3-(4-tert-butylphenoxy)phenyl]ethynyl]pyridine-3-carboxylic acid CAS Name: 6-[2-[4-tert-butyl-3-(4-tert-butylphenoxy)phenyl]ethynyl]-3-pyridinecarboxylic acid IUPAC Name: 6-[2-[4-tert-butyl-3-(4-tert-butylphenoxy)phenyl]ethynyl]pyridine-3-carboxylic acid Traditional Name: 6-[2-[4-tert-butyl-3-(4-tert-butylphenoxy)phenyl]ethynyl]nicotinic acid Formula: C28H29NO3 MolecularWeight: 427.53476

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)OC2=C(C=CC(=C2)C#CC3=NC=C(C=C3)C(=O)O)C(C)(C)C

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)OC2=C(C=CC(=C2)C#CC3=NC=C(C=C3)C(=O)O)C(C)(C)C

InChI

InChI=1S/C28H29NO3/c1-27(2,3)21-10-14-23(15-11-21)32-25-17-19(8-16-24(25)28(4,5)6)7-12-22-13-9-20(18-29-22)26(30)31/h8-11,13-18H,1-6H3,(H,30,31)