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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)N1CCC(CC1)CCCN2CCC(CC2)CC3=C(C=CC(=C3)Cl)Br

Isomeric SMILES

COC(=O)N1CCC(CC1)CCCN2CCC(CC2)CC3=C(C=CC(=C3)Cl)Br

InChI

InChI=1S/C22H32BrClN2O2/c1-28-22(27)26-13-8-17(9-14-26)3-2-10-25-11-6-18(7-12-25)15-19-16-20(24)4-5-21(19)23/h4-5,16-18H,2-3,6-15H2,1H3