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

Systemtic Name: methyl 3-[2-[3-[(2-bromanyl-5-methoxy-phenyl)methyl]pyrrolidin-1-yl]ethyl]piperidine-1-carboxylate Openeye Name: methyl 3-[2-[3-[(2-bromo-5-methoxy-phenyl)methyl]pyrrolidin-1-yl]ethyl]piperidine-1-carboxylate CAS Name: 3-[2-[3-[(2-bromo-5-methoxyphenyl)methyl]-1-pyrrolidinyl]ethyl]-1-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 3-[2-[3-[(2-bromo-5-methoxyphenyl)methyl]pyrrolidin-1-yl]ethyl]piperidine-1-carboxylate Traditional Name: 3-[2-[3-(2-bromo-5-methoxy-benzyl)pyrrolidino]ethyl]piperidine-1-carboxylic acid methyl ester Formula: C21H31BrN2O3 MolecularWeight: 439.38644

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)Br)CC2CCN(C2)CCC3CCCN(C3)C(=O)OC

Isomeric SMILES

COC1=CC(=C(C=C1)Br)CC2CCN(C2)CCC3CCCN(C3)C(=O)OC

InChI

InChI=1S/C21H31BrN2O3/c1-26-19-5-6-20(22)18(13-19)12-17-8-11-23(14-17)10-7-16-4-3-9-24(15-16)21(25)27-2/h5-6,13,16-17H,3-4,7-12,14-15H2,1-2H3