butyl (3S,4R)-4-[2,4-bis(fluoranyl)phenyl]-1-tert-butyl-pyrrolidine-3-carboxylate

Systemtic Name: butyl (3S,4R)-4-[2,4-bis(fluoranyl)phenyl]-1-tert-butyl-pyrrolidine-3-carboxylate Openeye Name: butyl (3S,4R)-1-tert-butyl-4-(2,4-difluorophenyl)pyrrolidine-3-carboxylate CAS Name: (3S,4R)-1-tert-butyl-4-(2,4-difluorophenyl)-3-pyrrolidinecarboxylic acid butyl ester IUPAC Name: butyl (3S,4R)-1-tert-butyl-4-(2,4-difluorophenyl)pyrrolidine-3-carboxylate Traditional Name: (3S,4R)-1-tert-butyl-4-(2,4-difluorophenyl)pyrrolidine-3-carboxylic acid butyl ester Formula: C19H27F2NO2 MolecularWeight: 339.419986

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1CN(CC1C2=C(C=C(C=C2)F)F)C(C)(C)C

Isomeric SMILES

CCCCOC(=O)[C@@H]1CN(C[C@H]1C2=C(C=C(C=C2)F)F)C(C)(C)C

InChI

InChI=1S/C19H27F2NO2/c1-5-6-9-24-18(23)16-12-22(19(2,3)4)11-15(16)14-8-7-13(20)10-17(14)21/h7-8,10,15-16H,5-6,9,11-12H2,1-4H3/t15-,16+/m0/s1