tert-butyl 2-[[2-[(5-bromanyl-2-methoxy-phenyl)methylsulfanyl]phenyl]methoxymethyl]pyrrolidine-1-carboxylate

Systemtic Name: tert-butyl 2-[[2-[(5-bromanyl-2-methoxy-phenyl)methylsulfanyl]phenyl]methoxymethyl]pyrrolidine-1-carboxylate Openeye Name: tert-butyl 2-[[2-[(5-bromo-2-methoxy-phenyl)methylsulfanyl]phenyl]methoxymethyl]pyrrolidine-1-carboxylate CAS Name: 2-[[2-[(5-bromo-2-methoxyphenyl)methylthio]phenyl]methoxymethyl]-1-pyrrolidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 2-[[2-[(5-bromo-2-methoxyphenyl)methylsulfanyl]phenyl]methoxymethyl]pyrrolidine-1-carboxylate Traditional Name: 2-[[2-[(5-bromo-2-methoxy-benzyl)thio]benzyl]oxymethyl]pyrrolidine-1-carboxylic acid tert-butyl ester Formula: C25H32BrNO4S MolecularWeight: 522.49488

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCCC1COCC2=CC=CC=C2SCC3=C(C=CC(=C3)Br)OC

Isomeric SMILES

CC(C)(C)OC(=O)N1CCCC1COCC2=CC=CC=C2SCC3=C(C=CC(=C3)Br)OC

InChI

InChI=1S/C25H32BrNO4S/c1-25(2,3)31-24(28)27-13-7-9-21(27)16-30-15-18-8-5-6-10-23(18)32-17-19-14-20(26)11-12-22(19)29-4/h5-6,8,10-12,14,21H,7,9,13,15-17H2,1-4H3