tert-butyl 2-[2-[5-(4-methoxyphenoxy)pyridin-3-yl]ethynyl]pyrrolidine-1-carboxylate

Systemtic Name: tert-butyl 2-[2-[5-(4-methoxyphenoxy)pyridin-3-yl]ethynyl]pyrrolidine-1-carboxylate Openeye Name: tert-butyl 2-[2-[5-(4-methoxyphenoxy)-3-pyridyl]ethynyl]pyrrolidine-1-carboxylate CAS Name: 2-[2-[5-(4-methoxyphenoxy)-3-pyridinyl]ethynyl]-1-pyrrolidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 2-[2-[5-(4-methoxyphenoxy)pyridin-3-yl]ethynyl]pyrrolidine-1-carboxylate Traditional Name: 2-[2-[5-(4-methoxyphenoxy)-3-pyridyl]ethynyl]pyrrolidine-1-carboxylic acid tert-butyl ester Formula: C23H26N2O4 MolecularWeight: 394.46354

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H26N2O4/c1-23(2,3)29-22(26)25-13-5-6-18(25)8-7-17-14-21(16-24-15-17)28-20-11-9-19(27-4)10-12-20/h9-12,14-16,18H,5-6,13H2,1-4H3