tert-butyl (3S)-3-[(3-chloranyl-4-cyano-phenyl)amino]pyrrolidine-1-carboxylate

Systemtic Name: tert-butyl (3S)-3-[(3-chloranyl-4-cyano-phenyl)amino]pyrrolidine-1-carboxylate Openeye Name: tert-butyl (3S)-3-(3-chloro-4-cyano-anilino)pyrrolidine-1-carboxylate CAS Name: (3S)-3-(3-chloro-4-cyanoanilino)-1-pyrrolidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl (3S)-3-(3-chloro-4-cyanoanilino)pyrrolidine-1-carboxylate Traditional Name: (3S)-3-(3-chloro-4-cyano-anilino)pyrrolidine-1-carboxylic acid tert-butyl ester Formula: C16H20ClN3O2 MolecularWeight: 321.8019

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCC(C1)NC2=CC(=C(C=C2)C#N)Cl

Isomeric SMILES

CC(C)(C)OC(=O)N1CC[C@@H](C1)NC2=CC(=C(C=C2)C#N)Cl

InChI

InChI=1S/C16H20ClN3O2/c1-16(2,3)22-15(21)20-7-6-13(10-20)19-12-5-4-11(9-18)14(17)8-12/h4-5,8,13,19H,6-7,10H2,1-3H3/t13-/m0/s1