tert-butyl 2-[2-(2-methoxy-4-methoxycarbonyl-phenyl)ethynyl]pyrrolidine-1-carboxylate

Systemtic Name: tert-butyl 2-[2-(2-methoxy-4-methoxycarbonyl-phenyl)ethynyl]pyrrolidine-1-carboxylate Openeye Name: tert-butyl 2-[2-(2-methoxy-4-methoxycarbonyl-phenyl)ethynyl]pyrrolidine-1-carboxylate CAS Name: 2-[2-(2-methoxy-4-methoxycarbonylphenyl)ethynyl]-1-pyrrolidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 2-[2-(2-methoxy-4-methoxycarbonylphenyl)ethynyl]pyrrolidine-1-carboxylate Traditional Name: 2-[2-(4-carbomethoxy-2-methoxy-phenyl)ethynyl]pyrrolidine-1-carboxylic acid tert-butyl ester Formula: C20H25NO5 MolecularWeight: 359.4162

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H25NO5/c1-20(2,3)26-19(23)21-12-6-7-16(21)11-10-14-8-9-15(18(22)25-5)13-17(14)24-4/h8-9,13,16H,6-7,12H2,1-5H3