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

Systemtic Name: methyl 4-[3-[4-[(2-bromanyl-5-methoxy-phenyl)methyl]piperidin-1-yl]propyl]piperidine-1-carboxylate Openeye Name: methyl 4-[3-[4-[(2-bromo-5-methoxy-phenyl)methyl]-1-piperidyl]propyl]piperidine-1-carboxylate CAS Name: 4-[3-[4-[(2-bromo-5-methoxyphenyl)methyl]-1-piperidinyl]propyl]-1-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 4-[3-[4-[(2-bromo-5-methoxyphenyl)methyl]piperidin-1-yl]propyl]piperidine-1-carboxylate Traditional Name: 4-[3-[4-(2-bromo-5-methoxy-benzyl)piperidino]propyl]piperidine-1-carboxylic acid methyl ester Formula: C23H35BrN2O3 MolecularWeight: 467.4396

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)Br)CC2CCN(CC2)CCCC3CCN(CC3)C(=O)OC

Isomeric SMILES

COC1=CC(=C(C=C1)Br)CC2CCN(CC2)CCCC3CCN(CC3)C(=O)OC

InChI

InChI=1S/C23H35BrN2O3/c1-28-21-5-6-22(24)20(17-21)16-19-7-12-25(13-8-19)11-3-4-18-9-14-26(15-10-18)23(27)29-2/h5-6,17-19H,3-4,7-16H2,1-2H3