6-[2-(3,3,4,4-tetramethyl-2H-chromen-6-yl)ethynyl]pyridine-3-carboxylic acid

Systemtic Name: 6-[2-(3,3,4,4-tetramethyl-2H-chromen-6-yl)ethynyl]pyridine-3-carboxylic acid Openeye Name: 6-[2-(3,3,4,4-tetramethylchroman-6-yl)ethynyl]pyridine-3-carboxylic acid CAS Name: 6-[2-(3,3,4,4-tetramethyl-3,4-dihydro-2H-1-benzopyran-6-yl)ethynyl]-3-pyridinecarboxylic acid IUPAC Name: 6-[2-(3,3,4,4-tetramethyl-2H-chromen-6-yl)ethynyl]pyridine-3-carboxylic acid Traditional Name: 6-[2-(3,3,4,4-tetramethylchroman-6-yl)ethynyl]nicotinic acid Formula: C21H21NO3 MolecularWeight: 335.39634

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Descriptors Computed from Structure

Canonical SMILES:

CC1(COC2=C(C1(C)C)C=C(C=C2)C#CC3=NC=C(C=C3)C(=O)O)C

Isomeric SMILES

CC1(COC2=C(C1(C)C)C=C(C=C2)C#CC3=NC=C(C=C3)C(=O)O)C

InChI

InChI=1S/C21H21NO3/c1-20(2)13-25-18-10-6-14(11-17(18)21(20,3)4)5-8-16-9-7-15(12-22-16)19(23)24/h6-7,9-12H,13H2,1-4H3,(H,23,24)