tert-butyl 2-[2-[2-(oxan-4-yloxy)pyridin-3-yl]ethynyl]pyrrolidine-1-carboxylate

Systemtic Name: tert-butyl 2-[2-[2-(oxan-4-yloxy)pyridin-3-yl]ethynyl]pyrrolidine-1-carboxylate Openeye Name: tert-butyl 2-[2-(2-tetrahydropyran-4-yloxy-3-pyridyl)ethynyl]pyrrolidine-1-carboxylate CAS Name: 2-[2-[2-(4-oxanyloxy)-3-pyridinyl]ethynyl]-1-pyrrolidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 2-[2-[2-(oxan-4-yloxy)pyridin-3-yl]ethynyl]pyrrolidine-1-carboxylate Traditional Name: 2-[2-(2-tetrahydropyran-4-yloxy-3-pyridyl)ethynyl]pyrrolidine-1-carboxylic acid tert-butyl ester Formula: C21H28N2O4 MolecularWeight: 372.45802

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCCC1C#CC2=C(N=CC=C2)OC3CCOCC3

Isomeric SMILES

CC(C)(C)OC(=O)N1CCCC1C#CC2=C(N=CC=C2)OC3CCOCC3

InChI

InChI=1S/C21H28N2O4/c1-21(2,3)27-20(24)23-13-5-7-17(23)9-8-16-6-4-12-22-19(16)26-18-10-14-25-15-11-18/h4,6,12,17-18H,5,7,10-11,13-15H2,1-3H3