tert-butyl 2-[(E)-1-bromanyl-2-[5-(4-oxidanylphenoxy)pyridin-3-yl]ethenyl]pyrrolidine-1-carboxylate

Systemtic Name: tert-butyl 2-[(E)-1-bromanyl-2-[5-(4-oxidanylphenoxy)pyridin-3-yl]ethenyl]pyrrolidine-1-carboxylate Openeye Name: tert-butyl 2-[(E)-1-bromo-2-[5-(4-hydroxyphenoxy)-3-pyridyl]vinyl]pyrrolidine-1-carboxylate CAS Name: 2-[(E)-1-bromo-2-[5-(4-hydroxyphenoxy)-3-pyridinyl]ethenyl]-1-pyrrolidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 2-[(E)-1-bromo-2-[5-(4-hydroxyphenoxy)pyridin-3-yl]ethenyl]pyrrolidine-1-carboxylate Traditional Name: 2-[(E)-1-bromo-2-[5-(4-hydroxyphenoxy)-3-pyridyl]vinyl]pyrrolidine-1-carboxylic acid tert-butyl ester Formula: C22H25BrN2O4 MolecularWeight: 461.3489

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCCC1C(=CC2=CC(=CN=C2)OC3=CC=C(C=C3)O)Br

Isomeric SMILES

CC(C)(C)OC(=O)N1CCCC1/C(=C\C2=CC(=CN=C2)OC3=CC=C(C=C3)O)/Br

InChI

InChI=1S/C22H25BrN2O4/c1-22(2,3)29-21(27)25-10-4-5-20(25)19(23)12-15-11-18(14-24-13-15)28-17-8-6-16(26)7-9-17/h6-9,11-14,20,26H,4-5,10H2,1-3H3/b19-12+