2-[6-[2-(7-hexyl-2,2,4,4-tetramethyl-3H-chromen-6-yl)ethynyl]pyridin-3-yl]ethanoate

Systemtic Name: 2-[6-[2-(7-hexyl-2,2,4,4-tetramethyl-3H-chromen-6-yl)ethynyl]pyridin-3-yl]ethanoate Openeye Name: 2-[6-[2-(7-hexyl-2,2,4,4-tetramethyl-chroman-6-yl)ethynyl]-3-pyridyl]acetate CAS Name: 2-[6-[2-(7-hexyl-2,2,4,4-tetramethyl-3,4-dihydro-2H-1-benzopyran-6-yl)ethynyl]-3-pyridinyl]acetate IUPAC Name: 2-[6-[2-(7-hexyl-2,2,4,4-tetramethyl-3H-chromen-6-yl)ethynyl]pyridin-3-yl]acetate Traditional Name: 2-[6-[2-(7-hexyl-2,2,4,4-tetramethyl-chroman-6-yl)ethynyl]-3-pyridyl]acetate Formula: C28H34NO3- MolecularWeight: 432.57446

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=CC2=C(C=C1C#CC3=NC=C(C=C3)CC(=O)[O-])C(CC(O2)(C)C)(C)C

Isomeric SMILES

CCCCCCC1=CC2=C(C=C1C#CC3=NC=C(C=C3)CC(=O)[O-])C(CC(O2)(C)C)(C)C

InChI

InChI=1S/C28H35NO3/c1-6-7-8-9-10-21-17-25-24(27(2,3)19-28(4,5)32-25)16-22(21)12-14-23-13-11-20(18-29-23)15-26(30)31/h11,13,16-18H,6-10,15,19H2,1-5H3,(H,30,31)/p-1