[2-(2-bromophenyl)-2-oxidanylidene-ethyl] 1-(phenylcarbamoyl)piperidine-4-carboxylate

Systemtic Name: [2-(2-bromophenyl)-2-oxidanylidene-ethyl] 1-(phenylcarbamoyl)piperidine-4-carboxylate Openeye Name: [2-(2-bromophenyl)-2-oxo-ethyl] 1-(phenylcarbamoyl)piperidine-4-carboxylate CAS Name: 1-[anilino(oxo)methyl]-4-piperidinecarboxylic acid [2-(2-bromophenyl)-2-oxoethyl] ester IUPAC Name: [2-(2-bromophenyl)-2-oxoethyl] 1-(phenylcarbamoyl)piperidine-4-carboxylate Traditional Name: 1-(phenylcarbamoyl)isonipecotic acid [2-(2-bromophenyl)-2-keto-ethyl] ester Formula: C21H21BrN2O4 MolecularWeight: 445.30644

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)OCC(=O)C2=CC=CC=C2Br)C(=O)NC3=CC=CC=C3

Isomeric SMILES

C1CN(CCC1C(=O)OCC(=O)C2=CC=CC=C2Br)C(=O)NC3=CC=CC=C3

InChI

InChI=1S/C21H21BrN2O4/c22-18-9-5-4-8-17(18)19(25)14-28-20(26)15-10-12-24(13-11-15)21(27)23-16-6-2-1-3-7-16/h1-9,15H,10-14H2,(H,23,27)