(3S,3aS)-3-pyridin-2-yl-3a,4,5,6,7,7a-hexahydro-3H-1-benzofuran-2-one

Systemtic Name: (3S,3aS)-3-pyridin-2-yl-3a,4,5,6,7,7a-hexahydro-3H-1-benzofuran-2-one Openeye Name: (3S,3aS)-3-(2-pyridyl)-3a,4,5,6,7,7a-hexahydro-3H-benzofuran-2-one CAS Name: (3S,3aS)-3-(2-pyridinyl)-3a,4,5,6,7,7a-hexahydro-3H-benzofuran-2-one IUPAC Name: (3S,3aS)-3-pyridin-2-yl-3a,4,5,6,7,7a-hexahydro-3H-1-benzofuran-2-one Traditional Name: (3S,3aS)-3-(2-pyridyl)-3a,4,5,6,7,7a-hexahydro-3H-benzofuran-2-one Formula: C13H15NO2 MolecularWeight: 217.2637

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2C(C1)C(C(=O)O2)C3=CC=CC=N3

Isomeric SMILES

C1CCC2[C@@H](C1)[C@H](C(=O)O2)C3=CC=CC=N3

InChI

InChI=1S/C13H15NO2/c15-13-12(10-6-3-4-8-14-10)9-5-1-2-7-11(9)16-13/h3-4,6,8-9,11-12H,1-2,5,7H2/t9-,11?,12+/m1/s1