2-[6-[2-(4,4-diethyl-2,3-dihydrochromen-6-yl)ethynyl]pyridazin-3-yl]ethanoate

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1(CCOC2=C1C=C(C=C2)C#CC3=NN=C(C=C3)CC(=O)[O-])CC

Isomeric SMILES

CCC1(CCOC2=C1C=C(C=C2)C#CC3=NN=C(C=C3)CC(=O)[O-])CC

InChI

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