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

Systemtic Name: 2-[6-[2-(7-hexyl-4,4-dimethyl-2,3-dihydrochromen-6-yl)ethynyl]pyridazin-3-yl]ethanoate Openeye Name: 2-[6-[2-(7-hexyl-4,4-dimethyl-chroman-6-yl)ethynyl]pyridazin-3-yl]acetate CAS Name: 2-[6-[2-(7-hexyl-4,4-dimethyl-3,4-dihydro-2H-1-benzopyran-6-yl)ethynyl]-3-pyridazinyl]acetate IUPAC Name: 2-[6-[2-(7-hexyl-4,4-dimethyl-2,3-dihydrochromen-6-yl)ethynyl]pyridazin-3-yl]acetate Traditional Name: 2-[6-[2-(7-hexyl-4,4-dimethyl-chroman-6-yl)ethynyl]pyridazin-3-yl]acetate Formula: C25H29N2O3- MolecularWeight: 405.50936

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=CC2=C(C=C1C#CC3=NN=C(C=C3)CC(=O)[O-])C(CCO2)(C)C

Isomeric SMILES

CCCCCCC1=CC2=C(C=C1C#CC3=NN=C(C=C3)CC(=O)[O-])C(CCO2)(C)C

InChI

InChI=1S/C25H30N2O3/c1-4-5-6-7-8-18-16-23-22(25(2,3)13-14-30-23)15-19(18)9-10-20-11-12-21(27-26-20)17-24(28)29/h11-12,15-16H,4-8,13-14,17H2,1-3H3,(H,28,29)/p-1