[(1S,6S,7R,8R,8aR)-1,6,7-tris(oxidanyl)-1,2,3,5,6,7,8,8a-octahydroindolizin-8-yl] 2-azanylbenzoate

Systemtic Name: [(1S,6S,7R,8R,8aR)-1,6,7-tris(oxidanyl)-1,2,3,5,6,7,8,8a-octahydroindolizin-8-yl] 2-azanylbenzoate Openeye Name: [(1S,6S,7R,8R,8aR)-1,6,7-trihydroxy-1,2,3,5,6,7,8,8a-octahydroindolizin-8-yl] 2-aminobenzoate CAS Name: 2-aminobenzoic acid [(1S,6S,7R,8R,8aR)-1,6,7-trihydroxy-1,2,3,5,6,7,8,8a-octahydroindolizin-8-yl] ester IUPAC Name: [(1S,6S,7R,8R,8aR)-1,6,7-trihydroxy-1,2,3,5,6,7,8,8a-octahydroindolizin-8-yl] 2-aminobenzoate Traditional Name: 2-aminobenzoic acid [(1S,6S,7R,8R,8aR)-1,6,7-trihydroxyindolizidin-8-yl] ester Formula: C15H20N2O5 MolecularWeight: 308.3297

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Descriptors Computed from Structure

Canonical SMILES:

C1CN2CC(C(C(C2C1O)OC(=O)C3=CC=CC=C3N)O)O

Isomeric SMILES

C1CN2C[C@@H]([C@H]([C@@H]([C@H]2[C@H]1O)OC(=O)C3=CC=CC=C3N)O)O

InChI

InChI=1S/C15H20N2O5/c16-9-4-2-1-3-8(9)15(21)22-14-12-10(18)5-6-17(12)7-11(19)13(14)20/h1-4,10-14,18-20H,5-7,16H2/t10-,11-,12+,13+,14+/m0/s1