[2-oxidanylidene-2-(1H-pyrrol-2-yl)ethyl] 1-(4-bromophenyl)carbonylpiperidine-4-carboxylate

Systemtic Name: [2-oxidanylidene-2-(1H-pyrrol-2-yl)ethyl] 1-(4-bromophenyl)carbonylpiperidine-4-carboxylate Openeye Name: [2-oxo-2-(1H-pyrrol-2-yl)ethyl] 1-(4-bromobenzoyl)piperidine-4-carboxylate CAS Name: 1-[(4-bromophenyl)-oxomethyl]-4-piperidinecarboxylic acid [2-oxo-2-(1H-pyrrol-2-yl)ethyl] ester IUPAC Name: [2-oxo-2-(1H-pyrrol-2-yl)ethyl] 1-(4-bromobenzoyl)piperidine-4-carboxylate Traditional Name: 1-(4-bromobenzoyl)isonipecotic acid [2-keto-2-(1H-pyrrol-2-yl)ethyl] ester Formula: C19H19BrN2O4 MolecularWeight: 419.26916

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)OCC(=O)C2=CC=CN2)C(=O)C3=CC=C(C=C3)Br

Isomeric SMILES

C1CN(CCC1C(=O)OCC(=O)C2=CC=CN2)C(=O)C3=CC=C(C=C3)Br

InChI

InChI=1S/C19H19BrN2O4/c20-15-5-3-13(4-6-15)18(24)22-10-7-14(8-11-22)19(25)26-12-17(23)16-2-1-9-21-16/h1-6,9,14,21H,7-8,10-12H2