methyl 1-(4-bromanyl-1-methyl-pyrrol-2-yl)carbonylpiperidine-4-carboxylate

Systemtic Name: methyl 1-(4-bromanyl-1-methyl-pyrrol-2-yl)carbonylpiperidine-4-carboxylate Openeye Name: methyl 1-(4-bromo-1-methyl-pyrrole-2-carbonyl)piperidine-4-carboxylate CAS Name: 1-[(4-bromo-1-methyl-2-pyrrolyl)-oxomethyl]-4-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 1-(4-bromo-1-methylpyrrole-2-carbonyl)piperidine-4-carboxylate Traditional Name: 1-(4-bromo-1-methyl-pyrrole-2-carbonyl)isonipecotic acid methyl ester Formula: C13H17BrN2O3 MolecularWeight: 329.18968

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C=C1C(=O)N2CCC(CC2)C(=O)OC)Br

Isomeric SMILES

CN1C=C(C=C1C(=O)N2CCC(CC2)C(=O)OC)Br

InChI

InChI=1S/C13H17BrN2O3/c1-15-8-10(14)7-11(15)12(17)16-5-3-9(4-6-16)13(18)19-2/h7-9H,3-6H2,1-2H3