2-[5-[2-(7-ethyl-2,2,4,4-tetramethyl-3H-chromen-6-yl)ethynyl]pyrimidin-2-yl]ethanoate

Systemtic Name: 2-[5-[2-(7-ethyl-2,2,4,4-tetramethyl-3H-chromen-6-yl)ethynyl]pyrimidin-2-yl]ethanoate Openeye Name: 2-[5-[2-(7-ethyl-2,2,4,4-tetramethyl-chroman-6-yl)ethynyl]pyrimidin-2-yl]acetate CAS Name: 2-[5-[2-(7-ethyl-2,2,4,4-tetramethyl-3,4-dihydro-2H-1-benzopyran-6-yl)ethynyl]-2-pyrimidinyl]acetate IUPAC Name: 2-[5-[2-(7-ethyl-2,2,4,4-tetramethyl-3H-chromen-6-yl)ethynyl]pyrimidin-2-yl]acetate Traditional Name: 2-[5-[2-(7-ethyl-2,2,4,4-tetramethyl-chroman-6-yl)ethynyl]pyrimidin-2-yl]acetate Formula: C23H25N2O3- MolecularWeight: 377.4562

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H26N2O3/c1-6-16-10-19-18(22(2,3)14-23(4,5)28-19)9-17(16)8-7-15-12-24-20(25-13-15)11-21(26)27/h9-10,12-13H,6,11,14H2,1-5H3,(H,26,27)/p-1