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

Systemtic Name: tert-butyl (2S)-2-[[5-(benzamidomethyl)-6-chloranyl-pyridin-3-yl]oxymethyl]azetidine-1-carboxylate Openeye Name: tert-butyl (2S)-2-[[5-(benzamidomethyl)-6-chloro-3-pyridyl]oxymethyl]azetidine-1-carboxylate CAS Name: (2S)-2-[[5-(benzamidomethyl)-6-chloro-3-pyridinyl]oxymethyl]-1-azetidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl (2S)-2-[[5-(benzamidomethyl)-6-chloropyridin-3-yl]oxymethyl]azetidine-1-carboxylate Traditional Name: (2S)-2-[[5-(benzamidomethyl)-6-chloro-3-pyridyl]oxymethyl]azetidine-1-carboxylic acid tert-butyl ester Formula: C22H26ClN3O4 MolecularWeight: 431.91254

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H26ClN3O4/c1-22(2,3)30-21(28)26-10-9-17(26)14-29-18-11-16(19(23)24-13-18)12-25-20(27)15-7-5-4-6-8-15/h4-8,11,13,17H,9-10,12,14H2,1-3H3,(H,25,27)/t17-/m0/s1