(3aS,4S,5S,7aS)-4-(4-fluorophenyl)-5-oxidanyl-1,3,3a,4,5,6,7,7a-octahydroisoindole-2-carboxylate

Systemtic Name: (3aS,4S,5S,7aS)-4-(4-fluorophenyl)-5-oxidanyl-1,3,3a,4,5,6,7,7a-octahydroisoindole-2-carboxylate Openeye Name: (3aS,4S,5S,7aS)-4-(4-fluorophenyl)-5-hydroxy-1,3,3a,4,5,6,7,7a-octahydroisoindole-2-carboxylate CAS Name: (3aS,4S,5S,7aS)-4-(4-fluorophenyl)-5-hydroxy-1,3,3a,4,5,6,7,7a-octahydroisoindole-2-carboxylate IUPAC Name: (3aS,4S,5S,7aS)-4-(4-fluorophenyl)-5-hydroxy-1,3,3a,4,5,6,7,7a-octahydroisoindole-2-carboxylate Traditional Name: (3aS,4S,5S,7aS)-4-(4-fluorophenyl)-5-hydroxy-1,3,3a,4,5,6,7,7a-octahydroisoindole-2-carboxylate Formula: C15H17FNO3- MolecularWeight: 278.298783

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C(C2C1CN(C2)C(=O)[O-])C3=CC=C(C=C3)F)O

Isomeric SMILES

C1C[C@@H]([C@@H]([C@@H]2[C@H]1CN(C2)C(=O)[O-])C3=CC=C(C=C3)F)O

InChI

InChI=1S/C15H18FNO3/c16-11-4-1-9(2-5-11)14-12-8-17(15(19)20)7-10(12)3-6-13(14)18/h1-2,4-5,10,12-14,18H,3,6-8H2,(H,19,20)/p-1/t10-,12+,13+,14-/m1/s1