(5-cyano-1-ethyl-4-methyl-6-oxidanylidene-pyridin-2-yl) 2,6-bis(fluoranyl)-4-hept-1-ynyl-benzoate

Systemtic Name: (5-cyano-1-ethyl-4-methyl-6-oxidanylidene-pyridin-2-yl) 2,6-bis(fluoranyl)-4-hept-1-ynyl-benzoate Openeye Name: (5-cyano-1-ethyl-4-methyl-6-oxo-2-pyridyl) 2,6-difluoro-4-hept-1-ynyl-benzoate CAS Name: 2,6-difluoro-4-hept-1-ynylbenzoic acid (5-cyano-1-ethyl-4-methyl-6-oxo-2-pyridinyl) ester IUPAC Name: (5-cyano-1-ethyl-4-methyl-6-oxopyridin-2-yl) 2,6-difluoro-4-hept-1-ynylbenzoate Traditional Name: 2,6-difluoro-4-hept-1-ynyl-benzoic acid (5-cyano-1-ethyl-6-keto-4-methyl-2-pyridyl) ester Formula: C23H22F2N2O3 MolecularWeight: 412.429186

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC#CC1=CC(=C(C(=C1)F)C(=O)OC2=CC(=C(C(=O)N2CC)C#N)C)F

Isomeric SMILES

CCCCCC#CC1=CC(=C(C(=C1)F)C(=O)OC2=CC(=C(C(=O)N2CC)C#N)C)F

InChI

InChI=1S/C23H22F2N2O3/c1-4-6-7-8-9-10-16-12-18(24)21(19(25)13-16)23(29)30-20-11-15(3)17(14-26)22(28)27(20)5-2/h11-13H,4-8H2,1-3H3