tert-butyl (2S)-1-(4-cyanophenyl)carbonylpyrrolidine-2-carboxylate

Systemtic Name: tert-butyl (2S)-1-(4-cyanophenyl)carbonylpyrrolidine-2-carboxylate Openeye Name: tert-butyl (2S)-1-(4-cyanobenzoyl)pyrrolidine-2-carboxylate CAS Name: (2S)-1-[(4-cyanophenyl)-oxomethyl]-2-pyrrolidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl (2S)-1-(4-cyanobenzoyl)pyrrolidine-2-carboxylate Traditional Name: (2S)-1-(4-cyanobenzoyl)pyrrolidine-2-carboxylic acid tert-butyl ester Formula: C17H20N2O3 MolecularWeight: 300.3523

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C1CCCN1C(=O)C2=CC=C(C=C2)C#N

Isomeric SMILES

CC(C)(C)OC(=O)[C@@H]1CCCN1C(=O)C2=CC=C(C=C2)C#N

InChI

InChI=1S/C17H20N2O3/c1-17(2,3)22-16(21)14-5-4-10-19(14)15(20)13-8-6-12(11-18)7-9-13/h6-9,14H,4-5,10H2,1-3H3/t14-/m0/s1