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

Systemtic Name: methyl 4-[3-[3-[(2-bromanyl-5-methoxy-phenyl)methyl]pyrrolidin-1-yl]propyl]piperidine-1-carboxylate Openeye Name: methyl 4-[3-[3-[(2-bromo-5-methoxy-phenyl)methyl]pyrrolidin-1-yl]propyl]piperidine-1-carboxylate CAS Name: 4-[3-[3-[(2-bromo-5-methoxyphenyl)methyl]-1-pyrrolidinyl]propyl]-1-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 4-[3-[3-[(2-bromo-5-methoxyphenyl)methyl]pyrrolidin-1-yl]propyl]piperidine-1-carboxylate Traditional Name: 4-[3-[3-(2-bromo-5-methoxy-benzyl)pyrrolidino]propyl]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(C2)CCCC3CCN(CC3)C(=O)OC

Isomeric SMILES

COC1=CC(=C(C=C1)Br)CC2CCN(C2)CCCC3CCN(CC3)C(=O)OC

InChI

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