tert-butyl 2-(5-cyano-2-iodanyl-phenoxy)-2-pyrrolidin-2-yl-ethanoate

Systemtic Name: tert-butyl 2-(5-cyano-2-iodanyl-phenoxy)-2-pyrrolidin-2-yl-ethanoate Openeye Name: tert-butyl 2-(5-cyano-2-iodo-phenoxy)-2-pyrrolidin-2-yl-acetate CAS Name: 2-(5-cyano-2-iodophenoxy)-2-(2-pyrrolidinyl)acetic acid tert-butyl ester IUPAC Name: tert-butyl 2-(5-cyano-2-iodophenoxy)-2-pyrrolidin-2-ylacetate Traditional Name: 2-(5-cyano-2-iodo-phenoxy)-2-pyrrolidin-2-yl-acetic acid tert-butyl ester Formula: C17H21IN2O3 MolecularWeight: 428.26471

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C(C1CCCN1)OC2=C(C=CC(=C2)C#N)I

Isomeric SMILES

CC(C)(C)OC(=O)C(C1CCCN1)OC2=C(C=CC(=C2)C#N)I

InChI

InChI=1S/C17H21IN2O3/c1-17(2,3)23-16(21)15(13-5-4-8-20-13)22-14-9-11(10-19)6-7-12(14)18/h6-7,9,13,15,20H,4-5,8H2,1-3H3