tert-butyl (2S,4S)-4-cyano-2-(methoxymethyl)-2-(3-methylbutyl)pyrrolidine-1-carboxylate

Systemtic Name: tert-butyl (2S,4S)-4-cyano-2-(methoxymethyl)-2-(3-methylbutyl)pyrrolidine-1-carboxylate Openeye Name: tert-butyl (2S,4S)-4-cyano-2-isopentyl-2-(methoxymethyl)pyrrolidine-1-carboxylate CAS Name: (2S,4S)-4-cyano-2-(methoxymethyl)-2-(3-methylbutyl)-1-pyrrolidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl (2S,4S)-4-cyano-2-(methoxymethyl)-2-(3-methylbutyl)pyrrolidine-1-carboxylate Traditional Name: (2S,4S)-4-cyano-2-isoamyl-2-(methoxymethyl)pyrrolidine-1-carboxylic acid tert-butyl ester Formula: C17H30N2O3 MolecularWeight: 310.4317

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCC1(CC(CN1C(=O)OC(C)(C)C)C#N)COC

Isomeric SMILES

CC(C)CC[C@]1(C[C@@H](CN1C(=O)OC(C)(C)C)C#N)COC

InChI

InChI=1S/C17H30N2O3/c1-13(2)7-8-17(12-21-6)9-14(10-18)11-19(17)15(20)22-16(3,4)5/h13-14H,7-9,11-12H2,1-6H3/t14-,17+/m1/s1