[(1S,9R,9aR)-9-oxidanyl-4-oxidanylidene-1,2,3,6,7,8,9,9a-octahydroquinolizin-1-yl] benzoate

Systemtic Name: [(1S,9R,9aR)-9-oxidanyl-4-oxidanylidene-1,2,3,6,7,8,9,9a-octahydroquinolizin-1-yl] benzoate Openeye Name: [(1S,9R,9aR)-9-hydroxy-4-oxo-1,2,3,6,7,8,9,9a-octahydroquinolizin-1-yl] benzoate CAS Name: benzoic acid [(1S,9R,9aR)-9-hydroxy-4-oxo-1,2,3,6,7,8,9,9a-octahydroquinolizin-1-yl] ester IUPAC Name: [(1S,9R,9aR)-9-hydroxy-4-oxo-1,2,3,6,7,8,9,9a-octahydroquinolizin-1-yl] benzoate Traditional Name: benzoic acid [(1S,9R,9aR)-9-hydroxy-4-keto-quinolizidin-1-yl] ester Formula: C16H19NO4 MolecularWeight: 289.32636

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C2C(CCC(=O)N2C1)OC(=O)C3=CC=CC=C3)O

Isomeric SMILES

C1C[C@H]([C@@H]2[C@H](CCC(=O)N2C1)OC(=O)C3=CC=CC=C3)O

InChI

InChI=1S/C16H19NO4/c18-12-7-4-10-17-14(19)9-8-13(15(12)17)21-16(20)11-5-2-1-3-6-11/h1-3,5-6,12-13,15,18H,4,7-10H2/t12-,13+,15-/m1/s1