tert-butyl (2S,4R)-4-cyano-4-methyl-1-[2-[(phenylmethyl)amino]ethyl]pyrrolidine-2-carboxylate

Systemtic Name: tert-butyl (2S,4R)-4-cyano-4-methyl-1-[2-[(phenylmethyl)amino]ethyl]pyrrolidine-2-carboxylate Openeye Name: tert-butyl (2S,4R)-1-[2-(benzylamino)ethyl]-4-cyano-4-methyl-pyrrolidine-2-carboxylate CAS Name: (2S,4R)-4-cyano-4-methyl-1-[2-[(phenylmethyl)amino]ethyl]-2-pyrrolidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl (2S,4R)-1-[2-(benzylamino)ethyl]-4-cyano-4-methylpyrrolidine-2-carboxylate Traditional Name: (2S,4R)-1-[2-(benzylamino)ethyl]-4-cyano-4-methyl-pyrrolidine-2-carboxylic acid tert-butyl ester Formula: C20H29N3O2 MolecularWeight: 343.46316

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(N(C1)CCNCC2=CC=CC=C2)C(=O)OC(C)(C)C)C#N

Isomeric SMILES

C[C@]1(C[C@H](N(C1)CCNCC2=CC=CC=C2)C(=O)OC(C)(C)C)C#N

InChI

InChI=1S/C20H29N3O2/c1-19(2,3)25-18(24)17-12-20(4,14-21)15-23(17)11-10-22-13-16-8-6-5-7-9-16/h5-9,17,22H,10-13,15H2,1-4H3/t17-,20-/m0/s1