tert-butyl 1-[2-(3-chlorophenyl)-2-oxidanyl-2-pyridin-3-yl-ethanoyl]pyrrolidine-2-carboxylate

Systemtic Name: tert-butyl 1-[2-(3-chlorophenyl)-2-oxidanyl-2-pyridin-3-yl-ethanoyl]pyrrolidine-2-carboxylate Openeye Name: tert-butyl 1-[2-(3-chlorophenyl)-2-hydroxy-2-(3-pyridyl)acetyl]pyrrolidine-2-carboxylate CAS Name: 1-[2-(3-chlorophenyl)-2-hydroxy-1-oxo-2-(3-pyridinyl)ethyl]-2-pyrrolidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 1-[2-(3-chlorophenyl)-2-hydroxy-2-pyridin-3-ylacetyl]pyrrolidine-2-carboxylate Traditional Name: 1-[2-(3-chlorophenyl)-2-hydroxy-2-(3-pyridyl)acetyl]pyrrolidine-2-carboxylic acid tert-butyl ester Formula: C22H25ClN2O4 MolecularWeight: 416.8979

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C1CCCN1C(=O)C(C2=CC(=CC=C2)Cl)(C3=CN=CC=C3)O

Isomeric SMILES

CC(C)(C)OC(=O)C1CCCN1C(=O)C(C2=CC(=CC=C2)Cl)(C3=CN=CC=C3)O

InChI

InChI=1S/C22H25ClN2O4/c1-21(2,3)29-19(26)18-10-6-12-25(18)20(27)22(28,16-8-5-11-24-14-16)15-7-4-9-17(23)13-15/h4-5,7-9,11,13-14,18,28H,6,10,12H2,1-3H3