tert-butyl 3-[(2-chloranyl-3-fluoranyl-phenyl)carbonyl-cyclopentyl-amino]pyrrolidine-1-carboxylate

Systemtic Name: tert-butyl 3-[(2-chloranyl-3-fluoranyl-phenyl)carbonyl-cyclopentyl-amino]pyrrolidine-1-carboxylate Openeye Name: tert-butyl 3-[(2-chloro-3-fluoro-benzoyl)-cyclopentyl-amino]pyrrolidine-1-carboxylate CAS Name: 3-[[(2-chloro-3-fluorophenyl)-oxomethyl]-cyclopentylamino]-1-pyrrolidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 3-[(2-chloro-3-fluorobenzoyl)-cyclopentylamino]pyrrolidine-1-carboxylate Traditional Name: 3-[(2-chloro-3-fluoro-benzoyl)-cyclopentyl-amino]pyrrolidine-1-carboxylic acid tert-butyl ester Formula: C21H28ClFN2O3 MolecularWeight: 410.910023

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCC(C1)N(C2CCCC2)C(=O)C3=C(C(=CC=C3)F)Cl

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC(C1)N(C2CCCC2)C(=O)C3=C(C(=CC=C3)F)Cl

InChI

InChI=1S/C21H28ClFN2O3/c1-21(2,3)28-20(27)24-12-11-15(13-24)25(14-7-4-5-8-14)19(26)16-9-6-10-17(23)18(16)22/h6,9-10,14-15H,4-5,7-8,11-13H2,1-3H3