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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)Br)CC2CCN(CC2)CCCC3CCCN(C3)C(=O)OC

Isomeric SMILES

COC1=CC(=C(C=C1)Br)CC2CCN(CC2)CCCC3CCCN(C3)C(=O)OC

InChI

InChI=1S/C23H35BrN2O3/c1-28-21-7-8-22(24)20(16-21)15-18-9-13-25(14-10-18)11-3-5-19-6-4-12-26(17-19)23(27)29-2/h7-8,16,18-19H,3-6,9-15,17H2,1-2H3