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

Systemtic Name: tert-butyl 2-[2-[5-(2-phenoxyphenyl)pyridin-3-yl]ethynyl]pyrrolidine-1-carboxylate Openeye Name: tert-butyl 2-[2-[5-(2-phenoxyphenyl)-3-pyridyl]ethynyl]pyrrolidine-1-carboxylate CAS Name: 2-[2-[5-(2-phenoxyphenyl)-3-pyridinyl]ethynyl]-1-pyrrolidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 2-[2-[5-(2-phenoxyphenyl)pyridin-3-yl]ethynyl]pyrrolidine-1-carboxylate Traditional Name: 2-[2-[5-(2-phenoxyphenyl)-3-pyridyl]ethynyl]pyrrolidine-1-carboxylic acid tert-butyl ester Formula: C28H28N2O3 MolecularWeight: 440.53352

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCCC1C#CC2=CC(=CN=C2)C3=CC=CC=C3OC4=CC=CC=C4

Isomeric SMILES

CC(C)(C)OC(=O)N1CCCC1C#CC2=CC(=CN=C2)C3=CC=CC=C3OC4=CC=CC=C4

InChI

InChI=1S/C28H28N2O3/c1-28(2,3)33-27(31)30-17-9-10-23(30)16-15-21-18-22(20-29-19-21)25-13-7-8-14-26(25)32-24-11-5-4-6-12-24/h4-8,11-14,18-20,23H,9-10,17H2,1-3H3