[5-[2-(2,2,4,4-tetramethyl-3H-chromen-6-yl)ethynyl]pyrazin-2-yl] butanoate

Systemtic Name: [5-[2-(2,2,4,4-tetramethyl-3H-chromen-6-yl)ethynyl]pyrazin-2-yl] butanoate Openeye Name: [5-[2-(2,2,4,4-tetramethylchroman-6-yl)ethynyl]pyrazin-2-yl] butanoate CAS Name: butanoic acid [5-[2-(2,2,4,4-tetramethyl-3,4-dihydro-2H-1-benzopyran-6-yl)ethynyl]-2-pyrazinyl] ester IUPAC Name: [5-[2-(2,2,4,4-tetramethyl-3H-chromen-6-yl)ethynyl]pyrazin-2-yl] butanoate Traditional Name: butyric acid [5-[2-(2,2,4,4-tetramethylchroman-6-yl)ethynyl]pyrazin-2-yl] ester Formula: C23H26N2O3 MolecularWeight: 378.46414

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)OC1=NC=C(N=C1)C#CC2=CC3=C(C=C2)OC(CC3(C)C)(C)C

Isomeric SMILES

CCCC(=O)OC1=NC=C(N=C1)C#CC2=CC3=C(C=C2)OC(CC3(C)C)(C)C

InChI

InChI=1S/C23H26N2O3/c1-6-7-21(26)27-20-14-24-17(13-25-20)10-8-16-9-11-19-18(12-16)22(2,3)15-23(4,5)28-19/h9,11-14H,6-7,15H2,1-5H3