tert-butyl 2-[2-(5-pyridin-3-yloxypyridin-3-yl)ethynyl]pyrrolidine-1-carboxylate

Systemtic Name: tert-butyl 2-[2-(5-pyridin-3-yloxypyridin-3-yl)ethynyl]pyrrolidine-1-carboxylate Openeye Name: tert-butyl 2-[2-[5-(3-pyridyloxy)-3-pyridyl]ethynyl]pyrrolidine-1-carboxylate CAS Name: 2-[2-[5-(3-pyridinyloxy)-3-pyridinyl]ethynyl]-1-pyrrolidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 2-[2-(5-pyridin-3-yloxypyridin-3-yl)ethynyl]pyrrolidine-1-carboxylate Traditional Name: 2-[2-[5-(3-pyridyloxy)-3-pyridyl]ethynyl]pyrrolidine-1-carboxylic acid tert-butyl ester Formula: C21H23N3O3 MolecularWeight: 365.42562

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCCC1C#CC2=CC(=CN=C2)OC3=CN=CC=C3

Isomeric SMILES

CC(C)(C)OC(=O)N1CCCC1C#CC2=CC(=CN=C2)OC3=CN=CC=C3

InChI

InChI=1S/C21H23N3O3/c1-21(2,3)27-20(25)24-11-5-6-17(24)9-8-16-12-19(15-23-13-16)26-18-7-4-10-22-14-18/h4,7,10,12-15,17H,5-6,11H2,1-3H3