tert-butyl 2-(azetidin-2-yl)-2-(2-oct-5-ynylpyridin-3-yl)oxy-ethanoate

Systemtic Name: tert-butyl 2-(azetidin-2-yl)-2-(2-oct-5-ynylpyridin-3-yl)oxy-ethanoate Openeye Name: tert-butyl 2-(azetidin-2-yl)-2-[(2-oct-5-ynyl-3-pyridyl)oxy]acetate CAS Name: 2-(2-azetidinyl)-2-[(2-oct-5-ynyl-3-pyridinyl)oxy]acetic acid tert-butyl ester IUPAC Name: tert-butyl 2-(azetidin-2-yl)-2-(2-oct-5-ynylpyridin-3-yl)oxyacetate Traditional Name: 2-(azetidin-2-yl)-2-[(2-oct-5-ynyl-3-pyridyl)oxy]acetic acid tert-butyl ester Formula: C22H32N2O3 MolecularWeight: 372.50108

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Descriptors Computed from Structure

Canonical SMILES:

CCC#CCCCCC1=C(C=CC=N1)OC(C2CCN2)C(=O)OC(C)(C)C

Isomeric SMILES

CCC#CCCCCC1=C(C=CC=N1)OC(C2CCN2)C(=O)OC(C)(C)C

InChI

InChI=1S/C22H32N2O3/c1-5-6-7-8-9-10-12-17-19(13-11-15-23-17)26-20(18-14-16-24-18)21(25)27-22(2,3)4/h11,13,15,18,20,24H,5,8-10,12,14,16H2,1-4H3