[(1S,2R,3S)-3-azanyl-2-oxidanyl-cyclohexyl] 3-[(2-fluoranyl-4-iodanyl-phenyl)amino]pyridine-4-carboxylate

Systemtic Name: [(1S,2R,3S)-3-azanyl-2-oxidanyl-cyclohexyl] 3-[(2-fluoranyl-4-iodanyl-phenyl)amino]pyridine-4-carboxylate Openeye Name: [(1S,2R,3S)-3-amino-2-hydroxy-cyclohexyl] 3-(2-fluoro-4-iodo-anilino)pyridine-4-carboxylate CAS Name: 3-(2-fluoro-4-iodoanilino)-4-pyridinecarboxylic acid [(1S,2R,3S)-3-amino-2-hydroxycyclohexyl] ester IUPAC Name: [(1S,2R,3S)-3-amino-2-hydroxycyclohexyl] 3-(2-fluoro-4-iodoanilino)pyridine-4-carboxylate Traditional Name: 3-(2-fluoro-4-iodo-anilino)isonicotinic acid [(1S,2R,3S)-3-amino-2-hydroxy-cyclohexyl] ester Formula: C18H19FIN3O3 MolecularWeight: 471.264633

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C(C(C1)OC(=O)C2=C(C=NC=C2)NC3=C(C=C(C=C3)I)F)O)N

Isomeric SMILES

C1C[C@@H]([C@H]([C@H](C1)OC(=O)C2=C(C=NC=C2)NC3=C(C=C(C=C3)I)F)O)N

InChI

InChI=1S/C18H19FIN3O3/c19-12-8-10(20)4-5-14(12)23-15-9-22-7-6-11(15)18(25)26-16-3-1-2-13(21)17(16)24/h4-9,13,16-17,23-24H,1-3,21H2/t13-,16-,17+/m0/s1