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

Systemtic Name: 2-[6-[2-(7-ethyl-2,2,4,4-tetramethyl-3H-chromen-6-yl)ethynyl]pyridin-3-yl]ethanoate Openeye Name: 2-[6-[2-(7-ethyl-2,2,4,4-tetramethyl-chroman-6-yl)ethynyl]-3-pyridyl]acetate CAS Name: 2-[6-[2-(7-ethyl-2,2,4,4-tetramethyl-3,4-dihydro-2H-1-benzopyran-6-yl)ethynyl]-3-pyridinyl]acetate IUPAC Name: 2-[6-[2-(7-ethyl-2,2,4,4-tetramethyl-3H-chromen-6-yl)ethynyl]pyridin-3-yl]acetate Traditional Name: 2-[6-[2-(7-ethyl-2,2,4,4-tetramethyl-chroman-6-yl)ethynyl]-3-pyridyl]acetate Formula: C24H26NO3- MolecularWeight: 376.46814

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1C#CC3=NC=C(C=C3)CC(=O)[O-])C(CC(O2)(C)C)(C)C

Isomeric SMILES

CCC1=CC2=C(C=C1C#CC3=NC=C(C=C3)CC(=O)[O-])C(CC(O2)(C)C)(C)C

InChI

InChI=1S/C24H27NO3/c1-6-17-13-21-20(23(2,3)15-24(4,5)28-21)12-18(17)8-10-19-9-7-16(14-25-19)11-22(26)27/h7,9,12-14H,6,11,15H2,1-5H3,(H,26,27)/p-1