[1-(2,6-dimethylphenyl)-3-pyridin-2-yl-prop-2-ynyl] 2,2-dimethylpropanoate

Systemtic Name: [1-(2,6-dimethylphenyl)-3-pyridin-2-yl-prop-2-ynyl] 2,2-dimethylpropanoate Openeye Name: [1-(2,6-dimethylphenyl)-3-(2-pyridyl)prop-2-ynyl] 2,2-dimethylpropanoate CAS Name: 2,2-dimethylpropanoic acid [1-(2,6-dimethylphenyl)-3-(2-pyridinyl)prop-2-ynyl] ester IUPAC Name: [1-(2,6-dimethylphenyl)-3-pyridin-2-ylprop-2-ynyl] 2,2-dimethylpropanoate Traditional Name: 2,2-dimethylpropionic acid [1-(2,6-dimethylphenyl)-3-(2-pyridyl)prop-2-ynyl] ester Formula: C21H23NO2 MolecularWeight: 321.41282

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)C(C#CC2=CC=CC=N2)OC(=O)C(C)(C)C

Isomeric SMILES

CC1=C(C(=CC=C1)C)C(C#CC2=CC=CC=N2)OC(=O)C(C)(C)C

InChI

InChI=1S/C21H23NO2/c1-15-9-8-10-16(2)19(15)18(24-20(23)21(3,4)5)13-12-17-11-6-7-14-22-17/h6-11,14,18H,1-5H3