2-[6-[2-(7-ethyl-4,4-dimethyl-2,3-dihydrochromen-6-yl)ethynyl]pyridazin-3-yl]ethanoate

Systemtic Name: 2-[6-[2-(7-ethyl-4,4-dimethyl-2,3-dihydrochromen-6-yl)ethynyl]pyridazin-3-yl]ethanoate Openeye Name: 2-[6-[2-(7-ethyl-4,4-dimethyl-chroman-6-yl)ethynyl]pyridazin-3-yl]acetate CAS Name: 2-[6-[2-(7-ethyl-4,4-dimethyl-3,4-dihydro-2H-1-benzopyran-6-yl)ethynyl]-3-pyridazinyl]acetate IUPAC Name: 2-[6-[2-(7-ethyl-4,4-dimethyl-2,3-dihydrochromen-6-yl)ethynyl]pyridazin-3-yl]acetate Traditional Name: 2-[6-[2-(7-ethyl-4,4-dimethyl-chroman-6-yl)ethynyl]pyridazin-3-yl]acetate Formula: C21H21N2O3- MolecularWeight: 349.40304

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1C#CC3=NN=C(C=C3)CC(=O)[O-])C(CCO2)(C)C

Isomeric SMILES

CCC1=CC2=C(C=C1C#CC3=NN=C(C=C3)CC(=O)[O-])C(CCO2)(C)C

InChI

InChI=1S/C21H22N2O3/c1-4-14-12-19-18(21(2,3)9-10-26-19)11-15(14)5-6-16-7-8-17(23-22-16)13-20(24)25/h7-8,11-12H,4,9-10,13H2,1-3H3,(H,24,25)/p-1