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

Systemtic Name: [(2S)-1-(ethylamino)-1-oxidanylidene-propan-2-yl] 1-(4-bromophenyl)carbonylpiperidine-4-carboxylate Openeye Name: [(1S)-2-(ethylamino)-1-methyl-2-oxo-ethyl] 1-(4-bromobenzoyl)piperidine-4-carboxylate CAS Name: 1-[(4-bromophenyl)-oxomethyl]-4-piperidinecarboxylic acid [(2S)-1-(ethylamino)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(ethylamino)-1-oxopropan-2-yl] 1-(4-bromobenzoyl)piperidine-4-carboxylate Traditional Name: 1-(4-bromobenzoyl)isonipecotic acid [(1S)-2-(ethylamino)-2-keto-1-methyl-ethyl] ester Formula: C18H23BrN2O4 MolecularWeight: 411.29022

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCNC(=O)[C@H](C)OC(=O)C1CCN(CC1)C(=O)C2=CC=C(C=C2)Br

InChI

InChI=1S/C18H23BrN2O4/c1-3-20-16(22)12(2)25-18(24)14-8-10-21(11-9-14)17(23)13-4-6-15(19)7-5-13/h4-7,12,14H,3,8-11H2,1-2H3,(H,20,22)/t12-/m0/s1