tert-butyl (2S)-2-[[6-chloranyl-5-(2-iodanylpyridin-4-yl)pyridin-3-yl]oxymethyl]azetidine-1-carboxylate

Systemtic Name: tert-butyl (2S)-2-[[6-chloranyl-5-(2-iodanylpyridin-4-yl)pyridin-3-yl]oxymethyl]azetidine-1-carboxylate Openeye Name: tert-butyl (2S)-2-[[6-chloro-5-(2-iodo-4-pyridyl)-3-pyridyl]oxymethyl]azetidine-1-carboxylate CAS Name: (2S)-2-[[6-chloro-5-(2-iodo-4-pyridinyl)-3-pyridinyl]oxymethyl]-1-azetidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl (2S)-2-[[6-chloro-5-(2-iodopyridin-4-yl)pyridin-3-yl]oxymethyl]azetidine-1-carboxylate Traditional Name: (2S)-2-[[6-chloro-5-(2-iodo-4-pyridyl)-3-pyridyl]oxymethyl]azetidine-1-carboxylic acid tert-butyl ester Formula: C19H21ClIN3O3 MolecularWeight: 501.74581

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCC1COC2=CN=C(C(=C2)C3=CC(=NC=C3)I)Cl

Isomeric SMILES

CC(C)(C)OC(=O)N1CC[C@H]1COC2=CN=C(C(=C2)C3=CC(=NC=C3)I)Cl

InChI

InChI=1S/C19H21ClIN3O3/c1-19(2,3)27-18(25)24-7-5-13(24)11-26-14-9-15(17(20)23-10-14)12-4-6-22-16(21)8-12/h4,6,8-10,13H,5,7,11H2,1-3H3/t13-/m0/s1