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

Systemtic Name: 2-[6-[2-(2,2,4,4-tetramethyl-3H-chromen-6-yl)ethynyl]pyridazin-3-yl]ethanoate Openeye Name: 2-[6-[2-(2,2,4,4-tetramethylchroman-6-yl)ethynyl]pyridazin-3-yl]acetate CAS Name: 2-[6-[2-(2,2,4,4-tetramethyl-3,4-dihydro-2H-1-benzopyran-6-yl)ethynyl]-3-pyridazinyl]acetate IUPAC Name: 2-[6-[2-(2,2,4,4-tetramethyl-3H-chromen-6-yl)ethynyl]pyridazin-3-yl]acetate Traditional Name: 2-[6-[2-(2,2,4,4-tetramethylchroman-6-yl)ethynyl]pyridazin-3-yl]acetate Formula: C21H21N2O3- MolecularWeight: 349.40304

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22N2O3/c1-20(2)13-21(3,4)26-18-10-6-14(11-17(18)20)5-7-15-8-9-16(23-22-15)12-19(24)25/h6,8-11H,12-13H2,1-4H3,(H,24,25)/p-1