tert-butyl (2S)-2-[(3-chloranyl-4-fluoranyl-phenyl)carbamoyl]pyrrolidine-1-carboxylate

Systemtic Name: tert-butyl (2S)-2-[(3-chloranyl-4-fluoranyl-phenyl)carbamoyl]pyrrolidine-1-carboxylate Openeye Name: tert-butyl (2S)-2-[(3-chloro-4-fluoro-phenyl)carbamoyl]pyrrolidine-1-carboxylate CAS Name: (2S)-2-[(3-chloro-4-fluoroanilino)-oxomethyl]-1-pyrrolidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl (2S)-2-[(3-chloro-4-fluorophenyl)carbamoyl]pyrrolidine-1-carboxylate Traditional Name: (2S)-2-[(3-chloro-4-fluoro-phenyl)carbamoyl]pyrrolidine-1-carboxylic acid tert-butyl ester Formula: C16H20ClFN2O3 MolecularWeight: 342.793003

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCCC1C(=O)NC2=CC(=C(C=C2)F)Cl

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)NC2=CC(=C(C=C2)F)Cl

InChI

InChI=1S/C16H20ClFN2O3/c1-16(2,3)23-15(22)20-8-4-5-13(20)14(21)19-10-6-7-12(18)11(17)9-10/h6-7,9,13H,4-5,8H2,1-3H3,(H,19,21)/t13-/m0/s1