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

Systemtic Name: methyl 3-[3-[3-[(2-bromanyl-5-methoxy-phenyl)methyl]pyrrolidin-1-yl]propyl]piperidine-1-carboxylate Openeye Name: methyl 3-[3-[3-[(2-bromo-5-methoxy-phenyl)methyl]pyrrolidin-1-yl]propyl]piperidine-1-carboxylate CAS Name: 3-[3-[3-[(2-bromo-5-methoxyphenyl)methyl]-1-pyrrolidinyl]propyl]-1-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 3-[3-[3-[(2-bromo-5-methoxyphenyl)methyl]pyrrolidin-1-yl]propyl]piperidine-1-carboxylate Traditional Name: 3-[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)CCCC3CCCN(C3)C(=O)OC

Isomeric SMILES

COC1=CC(=C(C=C1)Br)CC2CCN(C2)CCCC3CCCN(C3)C(=O)OC

InChI

InChI=1S/C22H33BrN2O3/c1-27-20-7-8-21(23)19(14-20)13-18-9-12-24(15-18)10-3-5-17-6-4-11-25(16-17)22(26)28-2/h7-8,14,17-18H,3-6,9-13,15-16H2,1-2H3