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

Systemtic Name: ethyl 5-[6-[2-(7-ethyl-4,4-dimethyl-2,3-dihydrochromen-6-yl)ethynyl]pyridazin-3-yl]pentanoate Openeye Name: ethyl 5-[6-[2-(7-ethyl-4,4-dimethyl-chroman-6-yl)ethynyl]pyridazin-3-yl]pentanoate CAS Name: 5-[6-[2-(7-ethyl-4,4-dimethyl-3,4-dihydro-2H-1-benzopyran-6-yl)ethynyl]-3-pyridazinyl]pentanoic acid ethyl ester IUPAC Name: ethyl 5-[6-[2-(7-ethyl-4,4-dimethyl-2,3-dihydrochromen-6-yl)ethynyl]pyridazin-3-yl]pentanoate Traditional Name: 5-[6-[2-(7-ethyl-4,4-dimethyl-chroman-6-yl)ethynyl]pyridazin-3-yl]valeric acid ethyl ester Formula: C26H32N2O3 MolecularWeight: 420.54388

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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)(C)C

Isomeric SMILES

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

InChI

InChI=1S/C26H32N2O3/c1-5-19-18-24-23(26(3,4)15-16-31-24)17-20(19)11-12-22-14-13-21(27-28-22)9-7-8-10-25(29)30-6-2/h13-14,17-18H,5-10,15-16H2,1-4H3