tert-butyl (2S,3S)-3-(4-cyanophenoxy)-2-methanoyl-pyrrolidine-1-carboxylate

Systemtic Name: tert-butyl (2S,3S)-3-(4-cyanophenoxy)-2-methanoyl-pyrrolidine-1-carboxylate Openeye Name: tert-butyl (2S,3S)-3-(4-cyanophenoxy)-2-formyl-pyrrolidine-1-carboxylate CAS Name: (2S,3S)-3-(4-cyanophenoxy)-2-formyl-1-pyrrolidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl (2S,3S)-3-(4-cyanophenoxy)-2-formylpyrrolidine-1-carboxylate Traditional Name: (2S,3S)-3-(4-cyanophenoxy)-2-formyl-pyrrolidine-1-carboxylic acid tert-butyl ester Formula: C17H20N2O4 MolecularWeight: 316.3517

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCC(C1C=O)OC2=CC=C(C=C2)C#N

Isomeric SMILES

CC(C)(C)OC(=O)N1CC[C@@H]([C@H]1C=O)OC2=CC=C(C=C2)C#N

InChI

InChI=1S/C17H20N2O4/c1-17(2,3)23-16(21)19-9-8-15(14(19)11-20)22-13-6-4-12(10-18)5-7-13/h4-7,11,14-15H,8-9H2,1-3H3/t14-,15+/m1/s1