O1-tert-butyl O3-methyl (3S,4R)-4-(2-fluoranyl-6-pyrrolidin-1-yl-pyridin-3-yl)pyrrolidine-1,3-dicarboxylate

Systemtic Name: O1-tert-butyl O3-methyl (3S,4R)-4-(2-fluoranyl-6-pyrrolidin-1-yl-pyridin-3-yl)pyrrolidine-1,3-dicarboxylate Openeye Name: O1-tert-butyl O3-methyl (3S,4R)-4-(2-fluoro-6-pyrrolidin-1-yl-3-pyridyl)pyrrolidine-1,3-dicarboxylate CAS Name: (3S,4R)-4-[2-fluoro-6-(1-pyrrolidinyl)-3-pyridinyl]pyrrolidine-1,3-dicarboxylic acid O1-tert-butyl ester O3-methyl ester IUPAC Name: 1-O-tert-butyl 3-O-methyl (3S,4R)-4-(2-fluoro-6-pyrrolidin-1-ylpyridin-3-yl)pyrrolidine-1,3-dicarboxylate Traditional Name: (3S,4R)-4-(2-fluoro-6-pyrrolidino-3-pyridyl)pyrrolidine-1,3-dicarboxylic acid O1-tert-butyl ester O3-methyl ester Formula: C20H28FN3O4 MolecularWeight: 393.452423

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CC(C(C1)C(=O)OC)C2=C(N=C(C=C2)N3CCCC3)F

Isomeric SMILES

CC(C)(C)OC(=O)N1C[C@H]([C@@H](C1)C(=O)OC)C2=C(N=C(C=C2)N3CCCC3)F

InChI

InChI=1S/C20H28FN3O4/c1-20(2,3)28-19(26)24-11-14(15(12-24)18(25)27-4)13-7-8-16(22-17(13)21)23-9-5-6-10-23/h7-8,14-15H,5-6,9-12H2,1-4H3/t14-,15+/m0/s1