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

Systemtic Name: methyl 3-[2-[4-[(2-bromanyl-5-chloranyl-phenyl)methyl]piperidin-1-yl]ethyl]piperidine-1-carboxylate Openeye Name: methyl 3-[2-[4-[(2-bromo-5-chloro-phenyl)methyl]-1-piperidyl]ethyl]piperidine-1-carboxylate CAS Name: 3-[2-[4-[(2-bromo-5-chlorophenyl)methyl]-1-piperidinyl]ethyl]-1-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 3-[2-[4-[(2-bromo-5-chlorophenyl)methyl]piperidin-1-yl]ethyl]piperidine-1-carboxylate Traditional Name: 3-[2-[4-(2-bromo-5-chloro-benzyl)piperidino]ethyl]piperidine-1-carboxylic acid methyl ester Formula: C21H30BrClN2O2 MolecularWeight: 457.8321

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)N1CCCC(C1)CCN2CCC(CC2)CC3=C(C=CC(=C3)Cl)Br

Isomeric SMILES

COC(=O)N1CCCC(C1)CCN2CCC(CC2)CC3=C(C=CC(=C3)Cl)Br

InChI

InChI=1S/C21H30BrClN2O2/c1-27-21(26)25-9-2-3-17(15-25)8-12-24-10-6-16(7-11-24)13-18-14-19(23)4-5-20(18)22/h4-5,14,16-17H,2-3,6-13,15H2,1H3