methyl 3-[3-[4-[(2-bromanyl-5-chloranyl-phenyl)methyl]piperidin-1-yl]propyl]piperidine-1-carboxylate

Systemtic Name: methyl 3-[3-[4-[(2-bromanyl-5-chloranyl-phenyl)methyl]piperidin-1-yl]propyl]piperidine-1-carboxylate Openeye Name: methyl 3-[3-[4-[(2-bromo-5-chloro-phenyl)methyl]-1-piperidyl]propyl]piperidine-1-carboxylate CAS Name: 3-[3-[4-[(2-bromo-5-chlorophenyl)methyl]-1-piperidinyl]propyl]-1-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 3-[3-[4-[(2-bromo-5-chlorophenyl)methyl]piperidin-1-yl]propyl]piperidine-1-carboxylate Traditional Name: 3-[3-[4-(2-bromo-5-chloro-benzyl)piperidino]propyl]piperidine-1-carboxylic acid methyl ester Formula: C22H32BrClN2O2 MolecularWeight: 471.85868

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)N1CCCC(C1)CCCN2CCC(CC2)CC3=C(C=CC(=C3)Cl)Br

Isomeric SMILES

COC(=O)N1CCCC(C1)CCCN2CCC(CC2)CC3=C(C=CC(=C3)Cl)Br

InChI

InChI=1S/C22H32BrClN2O2/c1-28-22(27)26-11-3-5-18(16-26)4-2-10-25-12-8-17(9-13-25)14-19-15-20(24)6-7-21(19)23/h6-7,15,17-18H,2-5,8-14,16H2,1H3