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

Systemtic Name: ethyl (3S,4R)-4-[2,4-bis(fluoranyl)phenyl]-1-tert-butyl-pyrrolidine-3-carboxylate Openeye Name: ethyl (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 ethyl ester IUPAC Name: ethyl (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 ethyl ester Formula: C17H23F2NO2 MolecularWeight: 311.366826

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H23F2NO2/c1-5-22-16(21)14-10-20(17(2,3)4)9-13(14)12-7-6-11(18)8-15(12)19/h6-8,13-14H,5,9-10H2,1-4H3/t13-,14+/m0/s1