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

Systemtic Name: [6-[2-(7-hexyl-4,4-dimethyl-2,3-dihydrochromen-6-yl)ethynyl]pyridazin-3-yl] butanoate Openeye Name: [6-[2-(7-hexyl-4,4-dimethyl-chroman-6-yl)ethynyl]pyridazin-3-yl] butanoate CAS Name: butanoic acid [6-[2-(7-hexyl-4,4-dimethyl-3,4-dihydro-2H-1-benzopyran-6-yl)ethynyl]-3-pyridazinyl] ester IUPAC Name: [6-[2-(7-hexyl-4,4-dimethyl-2,3-dihydrochromen-6-yl)ethynyl]pyridazin-3-yl] butanoate Traditional Name: butyric acid [6-[2-(7-hexyl-4,4-dimethyl-chroman-6-yl)ethynyl]pyridazin-3-yl] ester Formula: C27H34N2O3 MolecularWeight: 434.57046

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=CC2=C(C=C1C#CC3=NN=C(C=C3)OC(=O)CCC)C(CCO2)(C)C

Isomeric SMILES

CCCCCCC1=CC2=C(C=C1C#CC3=NN=C(C=C3)OC(=O)CCC)C(CCO2)(C)C

InChI

InChI=1S/C27H34N2O3/c1-5-7-8-9-11-20-19-24-23(27(3,4)16-17-31-24)18-21(20)12-13-22-14-15-25(29-28-22)32-26(30)10-6-2/h14-15,18-19H,5-11,16-17H2,1-4H3