methyl (1R,12bS)-1-iodanyl-1,2,6,7,12,12b-hexahydroindolo[2,3-a]quinolizine-3-carboxylate

Systemtic Name: methyl (1R,12bS)-1-iodanyl-1,2,6,7,12,12b-hexahydroindolo[2,3-a]quinolizine-3-carboxylate Openeye Name: methyl (1R,12bS)-1-iodo-1,2,6,7,12,12b-hexahydroindolo[2,3-a]quinolizine-3-carboxylate CAS Name: (1R,12bS)-1-iodo-1,2,6,7,12,12b-hexahydroindolo[2,3-a]quinolizine-3-carboxylic acid methyl ester IUPAC Name: methyl (1R,12bS)-1-iodo-1,2,6,7,12,12b-hexahydroindolo[2,3-a]quinolizine-3-carboxylate Traditional Name: (1R,12bS)-1-iodo-1,2,6,7,12,12b-hexahydropyrido[2,1-a]$b-carboline-3-carboxylic acid methyl ester Formula: C17H17IN2O2 MolecularWeight: 408.23355

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CN2CCC3=C(C2C(C1)I)NC4=CC=CC=C34

Isomeric SMILES

COC(=O)C1=CN2CCC3=C([C@H]2[C@@H](C1)I)NC4=CC=CC=C34

InChI

InChI=1S/C17H17IN2O2/c1-22-17(21)10-8-13(18)16-15-12(6-7-20(16)9-10)11-4-2-3-5-14(11)19-15/h2-5,9,13,16,19H,6-8H2,1H3/t13-,16-/m1/s1