[5-[2-(7-ethyl-2,2,4,4-tetramethyl-3H-chromen-6-yl)ethynyl]pyrimidin-2-yl] butanoate

Systemtic Name: [5-[2-(7-ethyl-2,2,4,4-tetramethyl-3H-chromen-6-yl)ethynyl]pyrimidin-2-yl] butanoate Openeye Name: [5-[2-(7-ethyl-2,2,4,4-tetramethyl-chroman-6-yl)ethynyl]pyrimidin-2-yl] butanoate CAS Name: butanoic acid [5-[2-(7-ethyl-2,2,4,4-tetramethyl-3,4-dihydro-2H-1-benzopyran-6-yl)ethynyl]-2-pyrimidinyl] ester IUPAC Name: [5-[2-(7-ethyl-2,2,4,4-tetramethyl-3H-chromen-6-yl)ethynyl]pyrimidin-2-yl] butanoate Traditional Name: butyric acid [5-[2-(7-ethyl-2,2,4,4-tetramethyl-chroman-6-yl)ethynyl]pyrimidin-2-yl] ester Formula: C25H30N2O3 MolecularWeight: 406.5173

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)OC1=NC=C(C=N1)C#CC2=CC3=C(C=C2CC)OC(CC3(C)C)(C)C

Isomeric SMILES

CCCC(=O)OC1=NC=C(C=N1)C#CC2=CC3=C(C=C2CC)OC(CC3(C)C)(C)C

InChI

InChI=1S/C25H30N2O3/c1-7-9-22(28)29-23-26-14-17(15-27-23)10-11-19-12-20-21(13-18(19)8-2)30-25(5,6)16-24(20,3)4/h12-15H,7-9,16H2,1-6H3