2-[6-[2-(2,2,4,4-tetramethyl-3H-chromen-6-yl)ethynyl]pyridin-3-yl]ethanoate

Systemtic Name: 2-[6-[2-(2,2,4,4-tetramethyl-3H-chromen-6-yl)ethynyl]pyridin-3-yl]ethanoate Openeye Name: 2-[6-[2-(2,2,4,4-tetramethylchroman-6-yl)ethynyl]-3-pyridyl]acetate CAS Name: 2-[6-[2-(2,2,4,4-tetramethyl-3,4-dihydro-2H-1-benzopyran-6-yl)ethynyl]-3-pyridinyl]acetate IUPAC Name: 2-[6-[2-(2,2,4,4-tetramethyl-3H-chromen-6-yl)ethynyl]pyridin-3-yl]acetate Traditional Name: 2-[6-[2-(2,2,4,4-tetramethylchroman-6-yl)ethynyl]-3-pyridyl]acetate Formula: C22H22NO3- MolecularWeight: 348.41498

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(OC2=C1C=C(C=C2)C#CC3=NC=C(C=C3)CC(=O)[O-])(C)C)C

Isomeric SMILES

CC1(CC(OC2=C1C=C(C=C2)C#CC3=NC=C(C=C3)CC(=O)[O-])(C)C)C

InChI

InChI=1S/C22H23NO3/c1-21(2)14-22(3,4)26-19-10-7-15(11-18(19)21)5-8-17-9-6-16(13-23-17)12-20(24)25/h6-7,9-11,13H,12,14H2,1-4H3,(H,24,25)/p-1