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

Systemtic Name: methyl 3-[2-[4-[(2-bromanyl-5-methoxy-phenyl)methyl]piperidin-1-yl]ethyl]piperidine-1-carboxylate Openeye Name: methyl 3-[2-[4-[(2-bromo-5-methoxy-phenyl)methyl]-1-piperidyl]ethyl]piperidine-1-carboxylate CAS Name: 3-[2-[4-[(2-bromo-5-methoxyphenyl)methyl]-1-piperidinyl]ethyl]-1-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 3-[2-[4-[(2-bromo-5-methoxyphenyl)methyl]piperidin-1-yl]ethyl]piperidine-1-carboxylate Traditional Name: 3-[2-[4-(2-bromo-5-methoxy-benzyl)piperidino]ethyl]piperidine-1-carboxylic acid methyl ester Formula: C22H33BrN2O3 MolecularWeight: 453.41302

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)Br)CC2CCN(CC2)CCC3CCCN(C3)C(=O)OC

Isomeric SMILES

COC1=CC(=C(C=C1)Br)CC2CCN(CC2)CCC3CCCN(C3)C(=O)OC

InChI

InChI=1S/C22H33BrN2O3/c1-27-20-5-6-21(23)19(15-20)14-17-7-11-24(12-8-17)13-9-18-4-3-10-25(16-18)22(26)28-2/h5-6,15,17-18H,3-4,7-14,16H2,1-2H3