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

Systemtic Name: 2-[6-[2-(4,4-dimethyl-2,3-dihydrochromen-6-yl)ethynyl]pyridazin-3-yl]ethanoate Openeye Name: 2-[6-[2-(4,4-dimethylchroman-6-yl)ethynyl]pyridazin-3-yl]acetate CAS Name: 2-[6-[2-(4,4-dimethyl-3,4-dihydro-2H-1-benzopyran-6-yl)ethynyl]-3-pyridazinyl]acetate IUPAC Name: 2-[6-[2-(4,4-dimethyl-2,3-dihydrochromen-6-yl)ethynyl]pyridazin-3-yl]acetate Traditional Name: 2-[6-[2-(4,4-dimethylchroman-6-yl)ethynyl]pyridazin-3-yl]acetate Formula: C19H17N2O3- MolecularWeight: 321.34988

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CCOC2=C1C=C(C=C2)C#CC3=NN=C(C=C3)CC(=O)[O-])C

Isomeric SMILES

CC1(CCOC2=C1C=C(C=C2)C#CC3=NN=C(C=C3)CC(=O)[O-])C

InChI

InChI=1S/C19H18N2O3/c1-19(2)9-10-24-17-8-4-13(11-16(17)19)3-5-14-6-7-15(21-20-14)12-18(22)23/h4,6-8,11H,9-10,12H2,1-2H3,(H,22,23)/p-1