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

Systemtic Name: [6-[2-(4,4-diethyl-7-hexyl-2,3-dihydrochromen-6-yl)ethynyl]pyridazin-3-yl] butanoate Openeye Name: [6-[2-(4,4-diethyl-7-hexyl-chroman-6-yl)ethynyl]pyridazin-3-yl] butanoate CAS Name: butanoic acid [6-[2-(4,4-diethyl-7-hexyl-3,4-dihydro-2H-1-benzopyran-6-yl)ethynyl]-3-pyridazinyl] ester IUPAC Name: [6-[2-(4,4-diethyl-7-hexyl-2,3-dihydrochromen-6-yl)ethynyl]pyridazin-3-yl] butanoate Traditional Name: butyric acid [6-[2-(4,4-diethyl-7-hexyl-chroman-6-yl)ethynyl]pyridazin-3-yl] ester Formula: C29H38N2O3 MolecularWeight: 462.62362

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H38N2O3/c1-5-9-10-11-13-22-21-26-25(29(7-3,8-4)18-19-33-26)20-23(22)14-15-24-16-17-27(31-30-24)34-28(32)12-6-2/h16-17,20-21H,5-13,18-19H2,1-4H3