tert-butyl 2-ethyl-2-fluoranyl-4-oxidanyl-pyrrolidine-1-carboxylate; 3-phenethyl-7-oxabicyclo[2.2.1]hepta-1,3,5-triene

Systemtic Name: tert-butyl 2-ethyl-2-fluoranyl-4-oxidanyl-pyrrolidine-1-carboxylate; 3-phenethyl-7-oxabicyclo[2.2.1]hepta-1,3,5-triene Openeye Name: tert-butyl 2-ethyl-2-fluoro-4-hydroxy-pyrrolidine-1-carboxylate; 3-phenethyl-7-oxabicyclo[2.2.1]hepta-1,3,5-triene CAS Name: 2-ethyl-2-fluoro-4-hydroxy-1-pyrrolidinecarboxylic acid tert-butyl ester; 3-phenethyl-7-oxabicyclo[2.2.1]hepta-1,3,5-triene IUPAC Name: tert-butyl 2-ethyl-2-fluoro-4-hydroxypyrrolidine-1-carboxylate; 3-phenethyl-7-oxabicyclo[2.2.1]hepta-1,3,5-triene Traditional Name: 2-ethyl-2-fluoro-4-hydroxy-pyrrolidine-1-carboxylic acid tert-butyl ester; 3-phenethyl-7-oxabicyclo[2.2.1]hepta-1,3,5-triene Formula: C25H32FNO4 MolecularWeight: 429.524283

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Descriptors Computed from Structure

Canonical SMILES:

CCC1(CC(CN1C(=O)OC(C)(C)C)O)F.C1=CC=C(C=C1)CCC2=C3C=CC(=C2)O3

Isomeric SMILES

CCC1(CC(CN1C(=O)OC(C)(C)C)O)F.C1=CC=C(C=C1)CCC2=C3C=CC(=C2)O3

InChI

InChI=1S/C14H12O.C11H20FNO3/c1-2-4-11(5-3-1)6-7-12-10-13-8-9-14(12)15-13;1-5-11(12)6-8(14)7-13(11)9(15)16-10(2,3)4/h1-5,8-10H,6-7H2;8,14H,5-7H2,1-4H3