ethyl 5-[6-[2-(4,4,7-triethyl-2,3-dihydrochromen-6-yl)ethynyl]pyridazin-3-yl]pentanoate

Systemtic Name: ethyl 5-[6-[2-(4,4,7-triethyl-2,3-dihydrochromen-6-yl)ethynyl]pyridazin-3-yl]pentanoate Openeye Name: ethyl 5-[6-[2-(4,4,7-triethylchroman-6-yl)ethynyl]pyridazin-3-yl]pentanoate CAS Name: 5-[6-[2-(4,4,7-triethyl-3,4-dihydro-2H-1-benzopyran-6-yl)ethynyl]-3-pyridazinyl]pentanoic acid ethyl ester IUPAC Name: ethyl 5-[6-[2-(4,4,7-triethyl-2,3-dihydrochromen-6-yl)ethynyl]pyridazin-3-yl]pentanoate Traditional Name: 5-[6-[2-(4,4,7-triethylchroman-6-yl)ethynyl]pyridazin-3-yl]valeric acid ethyl ester Formula: C28H36N2O3 MolecularWeight: 448.59704

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1C#CC3=NN=C(C=C3)CCCCC(=O)OCC)C(CCO2)(CC)CC

Isomeric SMILES

CCC1=CC2=C(C=C1C#CC3=NN=C(C=C3)CCCCC(=O)OCC)C(CCO2)(CC)CC

InChI

InChI=1S/C28H36N2O3/c1-5-21-20-26-25(28(6-2,7-3)17-18-33-26)19-22(21)13-14-24-16-15-23(29-30-24)11-9-10-12-27(31)32-8-4/h15-16,19-20H,5-12,17-18H2,1-4H3