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

Systemtic Name: tert-butyl (2S)-2-[(6-chloranyl-5-pyridin-3-yl-pyridin-3-yl)oxymethyl]pyrrolidine-1-carboxylate Openeye Name: tert-butyl (2S)-2-[[6-chloro-5-(3-pyridyl)-3-pyridyl]oxymethyl]pyrrolidine-1-carboxylate CAS Name: (2S)-2-[[6-chloro-5-(3-pyridinyl)-3-pyridinyl]oxymethyl]-1-pyrrolidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl (2S)-2-[(6-chloro-5-pyridin-3-ylpyridin-3-yl)oxymethyl]pyrrolidine-1-carboxylate Traditional Name: (2S)-2-[[6-chloro-5-(3-pyridyl)-3-pyridyl]oxymethyl]pyrrolidine-1-carboxylic acid tert-butyl ester Formula: C20H24ClN3O3 MolecularWeight: 389.87586

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCCC1COC2=CN=C(C(=C2)C3=CN=CC=C3)Cl

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC[C@H]1COC2=CN=C(C(=C2)C3=CN=CC=C3)Cl

InChI

InChI=1S/C20H24ClN3O3/c1-20(2,3)27-19(25)24-9-5-7-15(24)13-26-16-10-17(18(21)23-12-16)14-6-4-8-22-11-14/h4,6,8,10-12,15H,5,7,9,13H2,1-3H3/t15-/m0/s1