tert-butyl 3-[(5-bromanyl-1-benzofuran-7-yl)methoxy]-2-phenyl-piperidine-1-carboxylate

Systemtic Name: tert-butyl 3-[(5-bromanyl-1-benzofuran-7-yl)methoxy]-2-phenyl-piperidine-1-carboxylate Openeye Name: tert-butyl 3-[(5-bromobenzofuran-7-yl)methoxy]-2-phenyl-piperidine-1-carboxylate CAS Name: 3-[(5-bromo-7-benzofuranyl)methoxy]-2-phenyl-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 3-[(5-bromo-1-benzofuran-7-yl)methoxy]-2-phenylpiperidine-1-carboxylate Traditional Name: 3-[(5-bromobenzofuran-7-yl)methoxy]-2-phenyl-piperidine-1-carboxylic acid tert-butyl ester Formula: C25H28BrNO4 MolecularWeight: 486.39812

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCCC(C1C2=CC=CC=C2)OCC3=C4C(=CC(=C3)Br)C=CO4

Isomeric SMILES

CC(C)(C)OC(=O)N1CCCC(C1C2=CC=CC=C2)OCC3=C4C(=CC(=C3)Br)C=CO4

InChI

InChI=1S/C25H28BrNO4/c1-25(2,3)31-24(28)27-12-7-10-21(22(27)17-8-5-4-6-9-17)30-16-19-15-20(26)14-18-11-13-29-23(18)19/h4-6,8-9,11,13-15,21-22H,7,10,12,16H2,1-3H3