tert-butyl 3-[6-chloranyl-5-(4-cyanophenyl)pyridin-3-yl]oxypyrrolidine-1-carboxylate

Systemtic Name: tert-butyl 3-[6-chloranyl-5-(4-cyanophenyl)pyridin-3-yl]oxypyrrolidine-1-carboxylate Openeye Name: tert-butyl 3-[[6-chloro-5-(4-cyanophenyl)-3-pyridyl]oxy]pyrrolidine-1-carboxylate CAS Name: 3-[[6-chloro-5-(4-cyanophenyl)-3-pyridinyl]oxy]-1-pyrrolidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 3-[6-chloro-5-(4-cyanophenyl)pyridin-3-yl]oxypyrrolidine-1-carboxylate Traditional Name: 3-[[6-chloro-5-(4-cyanophenyl)-3-pyridyl]oxy]pyrrolidine-1-carboxylic acid tert-butyl ester Formula: C21H22ClN3O3 MolecularWeight: 399.87068

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCC(C1)OC2=CN=C(C(=C2)C3=CC=C(C=C3)C#N)Cl

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC(C1)OC2=CN=C(C(=C2)C3=CC=C(C=C3)C#N)Cl

InChI

InChI=1S/C21H22ClN3O3/c1-21(2,3)28-20(26)25-9-8-16(13-25)27-17-10-18(19(22)24-12-17)15-6-4-14(11-23)5-7-15/h4-7,10,12,16H,8-9,13H2,1-3H3