[1-(methylcarbamoylamino)-1-oxidanylidene-propan-2-yl] 1-(4-bromophenyl)carbonylpiperidine-4-carboxylate

Systemtic Name: [1-(methylcarbamoylamino)-1-oxidanylidene-propan-2-yl] 1-(4-bromophenyl)carbonylpiperidine-4-carboxylate Openeye Name: [1-methyl-2-(methylcarbamoylamino)-2-oxo-ethyl] 1-(4-bromobenzoyl)piperidine-4-carboxylate CAS Name: 1-[(4-bromophenyl)-oxomethyl]-4-piperidinecarboxylic acid [1-(methylcarbamoylamino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(methylcarbamoylamino)-1-oxopropan-2-yl] 1-(4-bromobenzoyl)piperidine-4-carboxylate Traditional Name: 1-(4-bromobenzoyl)isonipecotic acid [2-keto-1-methyl-2-(methylcarbamoylamino)ethyl] ester Formula: C18H22BrN3O5 MolecularWeight: 440.28838

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC(=O)NC)OC(=O)C1CCN(CC1)C(=O)C2=CC=C(C=C2)Br

Isomeric SMILES

CC(C(=O)NC(=O)NC)OC(=O)C1CCN(CC1)C(=O)C2=CC=C(C=C2)Br

InChI

InChI=1S/C18H22BrN3O5/c1-11(15(23)21-18(26)20-2)27-17(25)13-7-9-22(10-8-13)16(24)12-3-5-14(19)6-4-12/h3-6,11,13H,7-10H2,1-2H3,(H2,20,21,23,26)